CAS 104224-76-2

3-(1,1-Dimethylethyl)-4-methoxybenzoyl chloride

Description:

3-(1,1-Dimethylethyl)-4-methoxybenzoyl chloride, with the CAS number 104224-76-2, is an organic compound characterized by its functional groups and structural features. It contains a benzoyl chloride moiety, which is known for its reactivity due to the presence of the acyl chloride functional group. This compound features a methoxy group (-OCH3) and a tert-butyl group (-C(CH3)3) attached to the aromatic ring, contributing to its steric bulk and influencing its chemical reactivity. The presence of the benzoyl chloride group makes it a useful intermediate in organic synthesis, particularly in acylation reactions. It is typically a colorless to pale yellow liquid or solid, depending on its purity and form. The compound is likely to be sensitive to moisture and should be handled with care, as it can react with water to produce hydrochloric acid and the corresponding carboxylic acid. Overall, its unique structure and functional groups make it valuable in various chemical applications, including pharmaceuticals and agrochemicals.

Formula: C₁₂H₁₅ClO₂

InChI: InChI=1S/C12H15ClO2/c1-12(2,3)9-7-8(11(13)14)5-6-10(9)15-4/h5-7H,1-4H3

InChI key: InChIKey=MSJOPSMIAQGYAQ-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1=C(OC)C=CC(C(Cl)=O)=C1

Synonyms:

• 3-(1,1-Dimethylethyl)-4-methoxybenzoyl chloride
• Benzoyl chloride, 3-(1,1-dimethylethyl)-4-methoxy-
• 3-tert-Butyl-4-methoxybenzoyl chloride