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5-Amino-2-(methylthio)pyrimidine-4-carboxylic Acid(CAS#100130-05-0)

Chemical Property:

Molecular Formula C6H7N3O2S
Molar Mass 185.2
Density 1.53±0.1 g/cm3(Predicted)
Melting Point 190-191.5℃ (decomposition)
Boling Point 435.0±30.0 °C(Predicted)
pKa 3.40±0.10(Predicted)
Storage Condition under inert gas (nitrogen or Argon) at 2–8 °C
Sensitive IRRITANT
MDL MFCD12407810

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Introduction

5-Amino-2-(methylthio)pyrimidine-4-carboxylic acid is an organic compound. The following is an introduction to its nature, use, preparation method and safety information:Quality:- Appearance: Colorless to white crystalline or crystalline powder- Solubility: Soluble in water and some organic solvents such as methanol, chloroform and dimethyl sulfoxideUse:Method:A common preparation method is prepared by the reaction of sodium methyl sulfide with 4-amino-2-carbonylpyrimidine. The specific steps are as follows:In an anhydrous environment, sodium methyl sulfide is reacted with ethanol to obtain methyl mercaptan.Under alkaline conditions, methyl mercaptan is reacted with 4-amino-2-carbonylpyrimidine to form 5-amino-2-(methylthio)pyrimidine-4-carboxylic acid.The crystallization and purification process is carried out to obtain a pure product.Safety Information:- 5-Amino-2-(methylthio)pyrimidine-4-carboxylic acid is a chemical that should be properly handled and stored.- When operating, appropriate safety operating procedures should be followed, including wearing appropriate personal protective equipment such as lab gloves and safety glasses.- Although detailed information on its acute and chronic toxicity is limited, contact with the skin, eyes, and respiratory tract should be avoided as much as possible.- In case of accidental contact, rinse the affected area immediately with plenty of water and seek medical attention.

Application
5-Amino-2-(methylthio)pyrimidine-4-carboxylic Acid (CAS 100130-05-0) is a versatile heterocyclic building block used in pharmaceutical R&D and organic synthesis. It serves as a key intermediate for the synthesis of 5-substituted pyrimidine carbocyclic nucleoside drugs, as well as the preparation of helicene analogs. In medicinal chemistry, this pyrimidine derivative is explored as a lead compound for designing new antimicrobial and antiviral agents, and is investigated as a potential enzyme inhibitor or ligand for protein interaction studies. The scaffold is also relevant for developing substituted pyrimidine carboxamide and ester derivatives as selective kinase inhibitors (Syk, JAK, DNA-PK) for treating cancer and autoimmune diseases. With its carboxylic acid allowing amide/ester formation, the amino and methylthio groups providing orthogonal handles for cross-coupling and nucleophilic substitution, and the pyrimidine core enhancing metabolic stability and target binding, this intermediate supports rapid SAR studies. Xinchem offers custom synthesis and contract manufacturing of this advanced compound with flexible scaling from R&D to commercial tons. Contact us today for a competitive quote and reliable global supply.


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