CAS 890095-51-9

Ethyl 1-isocyanatocyclohexaneacetate

Description:

Ethyl 1-isocyanatocyclohexaneacetate is a chemical compound characterized by its isocyanate functional group, which is known for its reactivity and ability to form urea derivatives. This compound features a cyclohexane ring, which contributes to its cyclic structure and can influence its physical and chemical properties, such as stability and solubility. The presence of the ethyl ester group enhances its potential for various applications, particularly in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Isocyanates are typically known for their use in the manufacture of polyurethanes and other polymers. However, they can also pose health risks, including respiratory irritation and sensitization, necessitating careful handling. The compound's molecular structure suggests it may exhibit moderate polarity, affecting its solubility in organic solvents. Overall, Ethyl 1-isocyanatocyclohexaneacetate is a versatile compound with significant implications in chemical synthesis and industrial applications, while also requiring appropriate safety measures due to the inherent risks associated with isocyanate compounds.

Formula: C₁₁H₁₇NO₃

InChI: InChI=1S/C11H17NO3/c1-2-15-10(14)8-11(12-9-13)6-4-3-5-7-11/h2-8H2,1H3

InChI key: InChIKey=BPIXVGKUMJMXFT-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)C1(N=C=O)CCCCC1

Synonyms:

• Cyclohexaneacetic acid, 1-isocyanato-, ethyl ester
• Ethyl 1-isocyanatocyclohexaneacetate