The Trifluoroacetylating Allyl Building Block for Pharmaceutical Synthesis, Agrochemicals, and Polymer Chemistry: Allyl Trifluoroacetate (CAS# 383-67-5)

Allyl trifluoroacetate (CAS# 383-67-5), also known as trifluoroacetic acid allyl ester, prop-2-en-1-yl 2,2,2-trifluoroacetate, or allyl 2,2,2-trifluoroacetate, is a trifluoroacetylated allyl ester with the molecular formula C₅H₅F₃O₂ and a molecular weight of 154.09 g/mol. Its molecular structure combines an allyl group (–CH₂–CH=CH₂) with a trifluoroacetyl moiety (–COCF₃), conferring both the reactivity of an allylic ester and the strong electron-withdrawing character of the trifluoromethyl group. As a colorless to light yellow clear liquid with a boiling point of 66–67°C, a density of 1.183 g/mL at 25°C, a refractive index of 1.336, and a flash point of −1°C, the compound is highly flammable and should be stored under cool, dry conditions away from oxidizing agents. It is not miscible or is difficult to mix with water. The compound is typically supplied at ≥97% to ≥98% purity and is classified as a dangerous good for transport (UN 2924, Class 3/8, Packing Group II).

Allyl trifluoroacetate is a versatile building block in organic synthesis, serving as a nucleophilic allyl metal precursor in alkylation reactions that generate homoallylic amines. It is also used as a chemical reagent and intermediate for pharmaceutical synthesis, agrochemical production, liquid crystals, dyes, and a wide range of specialty chemicals. Based on its chemical characteristics and industrial significance, this article systematically analyzes the key properties, core application areas, global market structure, regulatory landscape, and future outlook of this strategically important organofluorine building block.

Key Properties and Reactivity Profile

Allyl trifluoroacetate (CAS# 383-67-5) is an allylic ester whose value derives from the combination of a reactive allyl group and a strongly electron-withdrawing trifluoroacetyl moiety.

Key physicochemical parameters include:

• Molecular Formula: C₅H₅F₃O₂
• Molecular Weight: 154.09 g/mol
• CAS Number: 383-67-5
• EINECS Number: 206-853-7
• MDL Number: MFCD00013567
• Appearance: Colorless to light yellow clear liquid
• Purity: ≥95% to ≥98% (GC)
• Boiling Point: 66–67°C (literature); 73–75°C (Alfa Aesar specification)
• Flash Point: −1°C (30°F)
• Density: 1.183 g/mL at 25°C
• Refractive Index: 1.336
• Water Solubility: Not miscible or difficult to mix with water
• Storage: Cool, dry conditions in well-sealed containers, away from oxidizing agents
• GHS Classification: Danger; H314 (Causes severe skin burns and eye damage), H225 (Highly flammable liquid and vapour)
• Transport Classification: UN 2924, Class 3/8, Packing Group II

The compound’s reactivity is defined by its dual functionality: the allyl group enables nucleophilic substitution and allylic alkylation reactions, while the trifluoroacetyl moiety provides a strong electron-withdrawing effect that enhances the electrophilicity of the carbonyl carbon and facilitates trifluoroacetylation of nucleophilic substrates. Allyl trifluoroacetate serves as a nucleophilic allyl metal precursor in alkylation reactions that generate homoallylic amines. The trifluoroacetyl group also imparts unique properties to derivatives, including increased lipophilicity and metabolic stability.

Core Application Fields and Demand

Market demand for allyl trifluoroacetate (CAS# 383-67-5) is concentrated in three primary sectors: pharmaceutical synthesis and drug intermediates (approximately 40–45% of global consumption), agrochemical and fine chemical synthesis (approximately 25–30%), and polymer science, liquid crystals, dyes, and specialty chemicals (approximately 25–30%). Its dual functionality as a trifluoroacetylating agent and an allylic building block serves as the core driver of sustained demand growth.

In pharmaceutical synthesis and drug intermediates, allyl trifluoroacetate is used as a chemical reagent and intermediate for pharmaceutical applications. It plays an important role in the synthesis of complex pharmaceutical compounds and can serve as a building block for the construction of bioactive molecules. The compound is employed in the preparation of homoallylic amines through nucleophilic allyl metal precursor chemistry, which are valuable intermediates in medicinal chemistry. The trifluoroacetyl group is a common protecting group for amines and alcohols in multi-step pharmaceutical synthesis, selectively removable under mild basic conditions. The allyl group provides an orthogonal handle for further functionalization via cross-metathesis, hydroboration, or epoxidation.

In agrochemical and fine chemical synthesis, allyl trifluoroacetate is used as an intermediate in the production of pesticides, herbicides, and other crop protection agents. The compound’s ability to introduce trifluoroacetyl and allyl functionalities makes it a versatile building block for constructing complex agrochemical active ingredients. It is also used in the synthesis of dyes and chemical industry products.

In polymer science and materials chemistry, allyl trifluoroacetate is classified as an allyl monomer and is used in polymer science applications. The allyl group enables radical or coordination polymerization, while the trifluoroacetyl group imparts desirable properties such as increased thermal stability and hydrophobicity to the resulting polymers. The compound is used in the development of functional polymers, coatings, and specialty materials.

In liquid crystal and dye applications, allyl trifluoroacetate is used as a building block for the synthesis of liquid crystalline compounds and dyes. The trifluoromethyl group enhances the electron-withdrawing character of the molecule, which can influence the optical and electronic properties of liquid crystalline materials.

As an organic solvent, allyl trifluoroacetate is widely used as an organic solvent in various chemical processes due to its ability to dissolve a wide range of organic compounds.

Major Market Participants

The global supply system for allyl trifluoroacetate (CAS# 383-67-5) features a pattern of “specialized fluorochemical manufacturers, multinational research chemical distributors, and Chinese producers serving distinct market segments.” The global allyl trifluoroacetate market was valued at USD 12 million in 2024 and is projected to reach USD 18 million by 2033, growing at a compound annual growth rate (CAGR) of 4.2% during the forecast period 2026–2033. The market is driven by increasing demand in pharmaceutical synthesis, agrochemical production, and specialty chemical applications.

In the global research and high-purity segment, key international suppliers include Thermo Fisher Scientific (Alfa Aesar), offering the compound at 97% purity in 10 g and 50 g quantities; TCI Chemicals, providing >95.0% purity (GC) with product code T1765; AKSci, offering 98% purity with product code 7038AL; BOC Sciences, supplying the compound as a pharmaceutical intermediate and research reagent; J&K Scientific, offering 98% purity; and Aladdin Scientific, offering ≥95% purity in 1 g and 5 g quantities. Other suppliers include Indofine Chemical Company, offering the compound in 25 g and 100 g quantities at USD 168.00 and USD 410.00 respectively, and GlpBio, supplying research-grade material. These suppliers serve the pharmaceutical, biotechnology, and academic research communities with products that meet rigorous quality specifications.

In the industrial and large-scale production segment, Chinese manufacturers have emerged as significant players in the global supply chain. XinChem is a reliable manufacturer and supplier of high-purity allyl trifluoroacetate from China, offering the compound with stringent quality standards for use in pharmaceutical synthesis, agrochemical production, and specialty chemical applications. Chinese suppliers offer the compound at various purity grades (typically 95–98%) and packaging options—from grams to bulk quantities—serving both domestic and export markets with competitive pricing. Other Chinese suppliers include Shanghai Youhe Biotech Co., Ltd., offering the compound at 98% purity with packaging options from 500 g to 25 kg.

Regional Market Dynamics

The global allyl trifluoroacetate market exhibits distinct regional characteristics, with production concentrated in Asia-Pacific (particularly China) and consumption distributed across North America, Europe, and the Asia-Pacific region, aligned with the pharmaceutical, agrochemical, and specialty chemical industries in these regions.

The Asia-Pacific region is a significant production and consumption hub for allyl trifluoroacetate, with China hosting manufacturers and suppliers including XinChem. The region’s competitive advantages include lower production costs, established chemical infrastructure, and proximity to rapidly growing pharmaceutical and agrochemical industries. Chinese suppliers offer the compound at various purity grades and packaging options, serving both domestic and export markets. The growing pharmaceutical R&D, agrochemical, and fine chemical sectors in China, India, Japan, and South Korea continue to drive regional consumption growth. TCI Chemicals maintains inventory in Japan and China, with the ability to ship from Shanghai and Tianjin warehouses.

North America remains a key market for high-purity and research-grade allyl trifluoroacetate, driven by demand from the pharmaceutical industry, biotechnology companies, and academic research institutions. The United States hosts numerous research organizations, pharmaceutical companies, and contract research organizations that require high-quality organofluorine building blocks for drug discovery and development. Suppliers such as Thermo Fisher Scientific, AKSci, and BOC Sciences serve the North American market with extensive distribution networks. The region’s well-established regulatory framework and emphasis on product quality support demand for high-grade research chemicals and pharmaceutical intermediates.

Europe is characterized by stringent regulatory requirements, including REACH registration, and a strong focus on quality and sustainability in pharmaceutical and chemical research. European pharmaceutical companies, agrochemical developers, and research institutions demand high-purity organofluorine building blocks with comprehensive documentation. TCI Chemicals, Fluorochem, and other distributors serve the European market with in-stock availability.

Japan represents a specialized market where allyl trifluoroacetate is supplied by TCI Chemicals and other distributors for pharmaceutical research, agrochemical development, and fine chemical applications.

Regulatory and Safety Considerations

As a reactive organofluorine compound and pharmaceutical intermediate, allyl trifluoroacetate (CAS# 383-67-5) is subject to regulatory oversight in major global economies. Compliance with relevant regulations is essential for market access and trade.

GHS classification and handling: Allyl trifluoroacetate is classified with the signal word ”Danger” . Hazard statements include H314 (Causes severe skin burns and eye damage) and H225 (Highly flammable liquid and vapour). Precautionary statements include P501 (Dispose of contents/container to an approved waste disposal plant), P240 (Ground and bond container and receiving equipment), P210 (Keep away from heat, sparks, open flames, and hot surfaces; no smoking), P233 (Keep container tightly closed), P243 (Take action to prevent static discharges), P241 (Use explosion-proof electrical/ventilating/lighting equipment), P242 (Use only non-sparking tools), P264 (Wash skin thoroughly after handling), P280 (Wear protective gloves/protective clothing/eye protection/face protection/hearing protection), P370+P378 (In case of fire: Use dry sand, dry chemical, or alcohol-resistant foam to extinguish), P301+P330+P331 (IF SWALLOWED: Rinse mouth; do NOT induce vomiting), P363 (Wash contaminated clothing before reuse), P403+P235 (Store in a well-ventilated place; keep cool), and P405 (Store locked up). The compound should be stored in cool, dry conditions in well-sealed containers, away from oxidizing agents, and protected from moisture. Personal protective equipment including lab gloves, safety glasses, and a lab coat should be worn during handling, and operations should be conducted in a well-ventilated environment or fume hood.

Transport information: Allyl trifluoroacetate is classified as a dangerous good for international transport under UN 2924 (Flammable liquids, corrosive, n.o.s.), Hazard Class 3/8, Packing Group II. Proper packaging, labeling, and documentation are required for international shipping in compliance with the International Maritime Dangerous Goods Code (IMDG Code) and other transport regulations. The compound is moisture-sensitive and should be handled under inert atmosphere.

Regulatory compliance: In the European Union, the compound must comply with REACH registration requirements for import and use. Manufacturers and suppliers must provide comprehensive Safety Data Sheets (SDS) and maintain appropriate documentation. In the United States, allyl trifluoroacetate is intended for research and development use only and is not intended for therapeutic, food, cosmetic, or consumer applications unless explicitly stated otherwise. The compound has an EINECS number of 206-853-7 and a WGK Germany classification of 3 (high hazard to water).

Environmental considerations: As an organofluorine compound, allyl trifluoroacetate requires responsible handling and disposal. The trifluoroacetyl group is persistent in the environment and can contribute to the formation of trifluoroacetic acid (TFA), a stable degradation product. Manufacturers and users should implement appropriate waste management protocols to minimize environmental impact. The development of greener synthesis methods and alternative reagents is an ongoing focus in the industry.

Future Outlook

The market outlook for allyl trifluoroacetate is positive, supported by several key growth drivers across its major application segments. The global market is projected to grow from USD 12 million in 2024 to USD 18 million by 2033, registering a CAGR of 4.2% during the forecast period 2026–2033.

Key growth drivers include:

1. Expansion of pharmaceutical R&D: Increasing investment in drug discovery and development, particularly in oncology, CNS disorders, and anti-infective therapeutics, drives demand for versatile organofluorine building blocks that enable late-stage functionalization and trifluoroacetylation.
2. Growth in agrochemical development: The growing global demand for novel pesticides, herbicides, and fungicides drives consumption of the compound as a precursor for crop protection agents with improved efficacy and environmental profiles.
3. Increasing demand for specialty chemicals: The expanding market for liquid crystals, dyes, and functional materials drives demand for allyl trifluoroacetate as a versatile building block.
4. Advantages of dual functionality: The compound’s ability to serve as both a trifluoroacetylating agent and an allylic building block makes it increasingly valuable in modern synthetic chemistry, particularly for constructing complex molecular architectures efficiently.
5. Growth in polymer science applications: The compound’s role as an allyl monomer in the development of functional polymers with enhanced thermal stability and hydrophobicity supports demand from the materials science sector.

Challenges and considerations:

• Hazardous material handling: The compound’s classification as highly flammable (H225) and corrosive (H314) requires specialized handling, packaging, and shipping procedures that may increase costs.
• Moisture sensitivity: Allyl trifluoroacetate requires storage under inert atmosphere and protection from moisture, which may increase handling and logistics costs.
• Limited scale: As a specialized organofluorine compound, the market for allyl trifluoroacetate is smaller than that of commodity chemicals.
• Regulatory compliance: Increasingly stringent chemical regulations may require ongoing investment in quality systems and documentation.
• Environmental concerns: The persistence of trifluoroacetyl derivatives in the environment may lead to increased regulatory scrutiny.

To succeed in this evolving market landscape, suppliers must focus on product quality (particularly purity and batch-to-batch consistency), supply chain reliability, regulatory compliance, and responsive customer service. Companies that can offer high-purity products, flexible packaging options, and technical support for pharmaceutical, agrochemical, and specialty chemical applications will be well-positioned to capture growing demand.

Shanghai XinChem Co., Ltd. (XinChem)

As a world-leading supplier of organic chemicals and organofluorine building blocks, Shanghai XinChem Co., Ltd. (XinChem) is dedicated to meeting the innovative needs of the pharmaceutical, agrochemical, and fine chemical industries. Leveraging extensive experience and advanced manufacturing capabilities, XinChem provides high-quality Allyl Trifluoroacetate (CAS# 383-67-5) to customers worldwide. As a trusted manufacturer and supplier based in China, XinChem combines competitive pricing, reliable supply, and exceptional service to establish itself as a preferred partner for research institutions, pharmaceutical companies, and industrial manufacturers seeking this versatile trifluoroacetylating allyl building block.

1. Technical Advantages

Advanced Synthesis and Purification Processes
XinChem utilizes state-of-the-art manufacturing facilities and rigorous quality control measures to ensure the purity, consistency, and safety of its allyl trifluoroacetate products. The production process incorporates established synthetic routes—including the esterification of allyl alcohol with trifluoroacetic acid or trifluoroacetic anhydride in the presence of an acid catalyst—enabling the delivery of products with purity ≥95% to ≥98% (GC) to meet diverse application requirements. Strict process control ensures consistent product quality, minimal impurities, and batch-to-batch reproducibility, providing customers with reliable performance in pharmaceutical synthesis, agrochemical development, and specialty chemical applications.

Full-Chain Quality Control
The production process strictly adheres to international quality standards, with comprehensive quality control covering raw material sourcing, in-process monitoring, and finished product testing. Each batch is accompanied by a detailed Certificate of Analysis (COA) documenting physical and chemical properties, purity data (GC), density, refractive index, and impurity profiles. This commitment to quality ensures that XinChem’s allyl trifluoroacetate meets the stringent requirements of pharmaceutical R&D, agrochemical development, and specialty chemical applications.

2. Product Advantages

High Purity and Consistent Quality
XinChem offers allyl trifluoroacetate with purity ≥95% to ≥98% (GC), ensuring optimal performance in pharmaceutical synthesis, agrochemical development, and specialty chemical applications. The product’s high purity minimizes the risk of unwanted side reactions and impurities, making it suitable for demanding applications in drug discovery, crop protection, and functional materials.

Comprehensive Specifications
Key specifications include:

• Molecular Formula: C₅H₅F₃O₂
• Molecular Weight: 154.09 g/mol
• CAS Number: 383-67-5
• EINECS Number: 206-853-7
• Synonyms: Trifluoroacetic acid allyl ester; Prop-2-en-1-yl 2,2,2-trifluoroacetate; Allyl 2,2,2-trifluoroacetate
• MDL Number: MFCD00013567
• Appearance: Colorless to light yellow clear liquid
• Purity: ≥95% to ≥98% (GC)
• Boiling Point: 66–67°C
• Flash Point: −1°C (30°F)
• Density: 1.183 g/mL at 25°C
• Refractive Index: 1.336
• Storage: Cool, dry conditions, well-sealed containers, away from oxidizing agents

Flexible Packaging Solutions
XinChem provides a range of packaging options to accommodate diverse customer needs, from laboratory-scale quantities (1 g, 5 g, 10 g, 25 g) to industrial-scale packaging (50 g, 100 g, 250 g, 500 g, 1 kg) and bulk shipments. Customized packaging solutions are available upon request, ensuring safe handling, storage, and transportation with appropriate moisture protection and compliance with hazardous material regulations (UN 2924, Class 3/8, PG II).

3. Application Fields

As a versatile organofluorine building block, Allyl Trifluoroacetate (CAS# 383-67-5) exhibits wide application value across multiple industries:

Pharmaceutical Synthesis:

• Chemical reagent and intermediate for pharmaceutical applications
• Nucleophilic allyl metal precursor in alkylation reactions generating homoallylic amines
• Trifluoroacetylating agent for amines and alcohols
• Building block for complex pharmaceutical compounds and bioactive molecules

Agrochemical and Fine Chemical Synthesis:

• Intermediate for pesticides, herbicides, and fungicides
• Building block for crop protection agents
• Synthesis of dyes and chemical industry products

Polymer Science and Materials Chemistry:

• Allyl monomer for radical or coordination polymerization
• Functional polymers with enhanced thermal stability and hydrophobicity
• Development of coatings and specialty materials

Liquid Crystals and Dyes:

• Building block for liquid crystalline compounds
• Precursor for dyes with tailored optical properties

Organic Synthesis:

• Versatile building block for complex molecule construction
• Organic solvent for various chemical processes

4. Service Support

Technical Expertise and Customized Solutions
XinChem’s team of experienced chemists and application engineers provides full technical support throughout the customer journey—from product selection and specification development to application guidance and troubleshooting. Whether customers require optimization of synthetic routes, guidance on trifluoroacetylation strategies, or assistance with handling moisture-sensitive and flammable compounds, XinChem’s technical experts are ready to help. Custom synthesis and contract manufacturing with flexible scaling from R&D to commercial quantities are available upon request.

Global Logistics and Reliable Supply
With established supply chains serving markets across Europe, North America, Asia-Pacific, and beyond, XinChem ensures timely delivery and consistent product availability. The company’s logistics team manages all aspects of international shipping, including compliance with dangerous goods transport regulations (UN 2924, Class 3/8, PG II), customs clearance, and documentation, with appropriate moisture protection and temperature control for product stability.

Regulatory Support
XinChem provides comprehensive documentation to support regulatory compliance, including Safety Data Sheets (SDS), Certificates of Analysis (COA), and other required certificates. The company stays current with evolving regulatory requirements in major markets, including REACH, TSCA, and other regional regulations, helping customers navigate the complexities of global trade.

5. Reasons to Choose XinChem

• Professionalism: Extensive experience and deep expertise in organofluorine building block synthesis and supply.
• Quality: Rigorous quality control, high purity (≥95% to ≥98%), and adherence to international standards.
• Reliability: Stable supply, competitive pricing, and timely delivery.
• Flexibility: Customized solutions to meet diverse customer needs, including custom synthesis and packaging.
• Service: Responsive technical support and comprehensive documentation.

Contact us today to start your partnership with XinChem!

Website: www.xinchem.com

Email: sales1@xinchem.com

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