CAS 76254-26-7

2-(Cyanomethyl)-4,5-dimethoxybenzoic acid

Description:

2-(Cyanomethyl)-4,5-dimethoxybenzoic acid, with the CAS number 76254-26-7, is an organic compound characterized by its benzoic acid structure modified with a cyanomethyl group and two methoxy substituents. This compound typically appears as a solid and is soluble in organic solvents, reflecting its hydrophobic nature due to the aromatic ring and methoxy groups. The presence of the cyanomethyl group introduces a polar functional group, which can influence its reactivity and interactions in chemical processes. The methoxy groups enhance the electron-donating properties of the aromatic system, potentially affecting its acidity and reactivity in electrophilic aromatic substitution reactions. This compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its unique structural features that can facilitate various chemical transformations. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₁H₁₁NO₄

InChI: InChI=1S/C11H11NO4/c1-15-9-5-7(3-4-12)8(11(13)14)6-10(9)16-2/h5-6H,3H2,1-2H3,(H,13,14)

InChI key: InChIKey=FDMVMXNAMAGPMS-UHFFFAOYSA-N

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

Synonyms:

• Veratric acid, 6-(cyanomethyl)-
• 2-(Cyanomethyl)-4,5-dimethoxybenzoic acid
• Benzoic acid, 2-(cyanomethyl)-4,5-dimethoxy-