CAS 1160257-86-2

2-Methyl-2-[4-(1-methylethyl)phenoxy]propanoyl chloride

Description:

2-Methyl-2-[4-(1-methylethyl)phenoxy]propanoyl chloride is an organic compound characterized by its functional groups and structural features. It contains a propanoyl chloride moiety, which indicates the presence of a carbonyl group (C=O) adjacent to a chlorine atom, making it a reactive acyl chloride. The compound also features a phenoxy group, which is derived from phenol, indicating that it has a phenyl ring substituted with an isopropyl group (1-methylethyl) at the para position. This substitution can influence the compound's reactivity and solubility. The presence of the methyl group on the propanoyl backbone suggests steric hindrance, which may affect its reactivity in acylation reactions. Overall, this compound is likely to be used in organic synthesis, particularly in the preparation of esters or amides, due to its electrophilic nature. Safety precautions should be taken when handling this compound, as acyl chlorides can be corrosive and may release harmful gases upon reaction with water or alcohols.

Formula: C₁₃H₁₇ClO₂

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

InChI key: InChIKey=TUBKSZQKPPEWHW-UHFFFAOYSA-N

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

Synonyms:

• 2-Methyl-2-[4-(propan-2-yl)phenoxy]propanoyl chloride
• 2-Methyl-2-(4-propan-2-ylphenoxy)propanoyl chloride
• 2-Methyl-2-[4-(1-methylethyl)phenoxy]propanoyl chloride
• Propanoyl chloride, 2-methyl-2-[4-(1-methylethyl)phenoxy]-
• 2-(4-Isopropylphenoxy)-2-methylpropanoyl chloride