CAS 1160257-68-0

2-[4-(1-Methyl-1-phenylethyl)phenoxy]butanoyl chloride

Description:

2-[4-(1-Methyl-1-phenylethyl)phenoxy]butanoyl chloride, identified by its CAS number 1160257-68-0, is an organic compound characterized by its acyl chloride functional group, which is known for its reactivity, particularly in acylation reactions. This compound features a butanoyl moiety linked to a phenoxy group, which is further substituted with a bulky 1-methyl-1-phenylethyl group. The presence of the phenoxy group contributes to its potential as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The acyl chloride functionality allows for the introduction of acyl groups into various substrates, making it valuable in synthetic chemistry. Additionally, the steric hindrance provided by the bulky substituent may influence its reactivity and selectivity in chemical reactions. As with many acyl chlorides, it is likely to be sensitive to moisture and should be handled with care to avoid hydrolysis, which can lead to the formation of the corresponding carboxylic acid.

Formula: C₁₉H₂₁ClO₂

InChI: InChI=1S/C19H21ClO2/c1-4-17(18(20)21)22-16-12-10-15(11-13-16)19(2,3)14-8-6-5-7-9-14/h5-13,17H,4H2,1-3H3

InChI key: InChIKey=NNUGMPOMICYXKQ-UHFFFAOYSA-N

SMILES: C(C)(C)(C1=CC=C(OC(C(Cl)=O)CC)C=C1)C2=CC=CC=C2

Synonyms:

• Butanoyl chloride, 2-[4-(1-methyl-1-phenylethyl)phenoxy]-
• 2-[4-(1-Methyl-1-phenylethyl)phenoxy]butanoyl chloride