CAS 92288-32-9

Benzoic acid, 3-(cyanomethyl)-4-methoxy-, methyl ester

Description:

Benzoic acid, 3-(cyanomethyl)-4-methoxy-, methyl ester, identified by the CAS number 92288-32-9, is an organic compound characterized by its benzoic acid structure modified with a methoxy group and a cyanomethyl substituent. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents such as ethanol and ether, but has limited solubility in water due to its hydrophobic aromatic ring. The presence of the methoxy group enhances its reactivity and can influence its chemical behavior, making it a potential candidate for various synthetic applications. The cyanomethyl group introduces a nitrile functionality, which can participate in nucleophilic reactions, expanding its utility in organic synthesis. Additionally, benzoic acid derivatives often exhibit antimicrobial properties, making them of interest in pharmaceuticals and agrochemicals. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula: C₁₁H₁₁NO₃

InChI: InChI=1S/C11H11NO3/c1-14-10-4-3-9(11(13)15-2)7-8(10)5-6-12/h3-4,7H,5H2,1-2H3

InChI key: InChIKey=MHVFPZJNYDIQNP-UHFFFAOYSA-N

SMILES: C(C#N)C1=C(OC)C=CC(C(OC)=O)=C1

Synonyms:

• p-Anisic acid, 3-(cyanomethyl)-, methyl ester
• Benzoic acid, 3-(cyanomethyl)-4-methoxy-, methyl ester
• Methyl 3-(cyanomethyl)-4-methoxybenzoate