CAS 1443340-62-2

3-(3-Methylbutoxy)benzoyl chloride

Description:

3-(3-Methylbutoxy)benzoyl chloride is an organic compound characterized by its functional groups, including a benzoyl chloride moiety and an ether linkage. It features a benzene ring substituted with a 3-methylbutoxy group, which contributes to its hydrophobic properties. The presence of the acyl chloride functional group indicates that it is reactive, particularly towards nucleophiles, making it useful in various synthetic applications, including acylation reactions. This compound is typically a colorless to pale yellow liquid, and its reactivity can lead to the formation of esters or amides when reacted with alcohols or amines. It is important to handle this substance with care due to its potential to release hydrochloric acid upon hydrolysis, which can be corrosive. Additionally, safety precautions should be taken to avoid inhalation or skin contact, as it may cause irritation. Overall, 3-(3-Methylbutoxy)benzoyl chloride is a valuable intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals.

Formula: C₁₂H₁₅ClO₂

InChI: InChI=1S/C12H15ClO2/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-5,8-9H,6-7H2,1-2H3

InChI key: InChIKey=YBNKBQHUMKPEBH-UHFFFAOYSA-N

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

Synonyms:

• Benzoyl chloride, 3-(3-methylbutoxy)-
• 3-(3-Methylbutoxy)benzoyl chloride