CAS 730964-83-7

Methyl 1-isocyanocyclohexaneacetate

Description:

Methyl 1-isocyanocyclohexaneacetate, identified by its CAS number 730964-83-7, is an organic compound characterized by the presence of both isocyanate and ester functional groups. This compound typically exhibits a colorless to pale yellow liquid form and has a distinctive odor. It is soluble in organic solvents, which makes it useful in various chemical applications, particularly in the synthesis of other organic compounds. The presence of the isocyanate group suggests that it may participate in nucleophilic addition reactions, making it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and polymers. Additionally, the cyclohexane ring contributes to its structural stability and influences its reactivity. Safety precautions are essential when handling this compound, as isocyanates can be hazardous, potentially causing respiratory irritation and sensitization. Overall, Methyl 1-isocyanocyclohexaneacetate is a versatile chemical with applications in synthetic organic chemistry, though it requires careful handling due to its reactive nature.

Formula: C₁₀H₁₅NO₂

InChI: InChI=1S/C10H15NO2/c1-11-10(8-9(12)13-2)6-4-3-5-7-10/h3-8H2,2H3

InChI key: InChIKey=GGHBYAHUPWLQMB-UHFFFAOYSA-N

SMILES: C(C(OC)=O)C1([N+]#[C-])CCCCC1

Synonyms:

• Cyclohexaneacetic acid, 1-isocyano-, methyl ester
• Methyl 1-isocyanocyclohexaneacetate