CAS 1160257-58-8

2-[4-(1-Methylethyl)phenoxy]butanoyl chloride

Description:

2-[4-(1-Methylethyl)phenoxy]butanoyl chloride, identified by its CAS number 1160257-58-8, is an organic compound characterized by its functional groups and structural features. It contains a butanoyl chloride moiety, which is a derivative of butanoic acid where the hydroxyl group is replaced by a chlorine atom, making it a reactive acyl chloride. The presence of a phenoxy group, specifically a para-substituted phenyl ring with an isopropyl group (1-methylethyl) at the para position, contributes to its hydrophobic characteristics and potential biological activity. This compound is likely to be a colorless to pale yellow liquid, exhibiting a strong odor typical of acyl chlorides. It is expected to be reactive, particularly with nucleophiles, due to the electrophilic nature of the carbonyl carbon in the acyl chloride. Such properties make it useful in organic synthesis, particularly in the formation of esters or amides. Safety precautions are necessary when handling this compound, as it can be corrosive and may release hydrochloric acid upon reaction with water or moisture.

Formula: C₁₃H₁₇ClO₂

InChI: InChI=1S/C13H17ClO2/c1-4-12(13(14)15)16-11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3

InChI key: InChIKey=KYJQNYATXHJZNF-UHFFFAOYSA-N

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

Synonyms:

• 2-[4-(1-Methylethyl)phenoxy]butanoyl chloride
• Butanoyl chloride, 2-[4-(1-methylethyl)phenoxy]-