4-isobutyloxybenzyl isocyanate(CAS#639863-75-5)
4-isobutyloxybenzyl isocyanate(CAS#639863-75-5)
use
It is mainly used in the field of organic synthesis and is an important raw material for the synthesis of some pharmaceutical intermediates, and has certain applications in pharmaceutical experiments.
Storage:
When storing, the container should be kept tightly closed, placing it in a cool, well-ventilated area.
Safety Information
Isocyanates are generally toxic and irritating and can cause damage to the respiratory tract, skin and eyes. Immediately after contact with this substance, rinse with plenty of water and seek medical attention promptly. During use and storage, take appropriate protective measures, such as wearing protective gloves, masks, and goggles.
Application
4-Isobutoxybenzyl isocyanate (1-isobutoxy-4-(isocyanatomethyl)benzene, CAS 639863-75-5) is a high-purity organic building block containing an isocyanate group. It appears as a white to off-white crystalline powder with the molecular formula C₁₂H₁₅NO₂ and a molecular weight of 205.25 g/mol. In pharmaceutical R&D and manufacturing, this reactive isocyanate serves as a key pharmaceutical intermediate in the convergent synthesis of Pimavanserin (Nuplazid®), a first-in-class selective serotonin 5-HT₂A receptor inverse agonist approved for treating hallucinations and delusions associated with Parkinson’s disease psychosis. It is also employed as Pimavanserin Impurity 10 (Impurity 18), serving as a critical pharmaceutical standard and reference standard for analytical method development, quality control, and impurity profiling during API manufacturing. In medicinal chemistry, the isocyanate group readily reacts with amines to form ureas and with alcohols to form carbamates, enabling diverse drug discovery library construction and hit-to-lead optimization. Beyond pharmaceuticals, this building block is used in materials science for advanced polymer synthesis and functional coatings, as well as in organic synthesis as a versatile building block for complex molecule construction. Xinchem offers custom synthesis, custom chemical synthesis, and contract manufacturing of high-purity 4-isobutoxybenzyl isocyanate with flexible scaling from R&D to commercial tons. Contact us today for a competitive quote and reliable global supply.
