CAS 80530-54-7

Methyl 4-(chloromethyl)-α-methylbenzeneacetate

Description:

Methyl 4-(chloromethyl)-α-methylbenzeneacetate, identified by its CAS number 80530-54-7, is an organic compound characterized by its ester functional group and the presence of a chloromethyl substituent. This compound features a methyl ester derived from benzoic acid, with a chloromethyl group attached to the aromatic ring, specifically at the para position relative to the ester group. The presence of the α-methyl group contributes to its steric properties, influencing its reactivity and interactions. Typically, such compounds exhibit moderate to low solubility in water but are more soluble in organic solvents due to their hydrophobic aromatic structure. Methyl 4-(chloromethyl)-α-methylbenzeneacetate may be used in various applications, including as an intermediate in organic synthesis or in the production of pharmaceuticals and agrochemicals. Its reactivity can be attributed to the electrophilic nature of the chloromethyl group, making it a potential candidate for nucleophilic substitution reactions. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₁₁H₁₃ClO₂

InChI: InChI=1S/C11H13ClO2/c1-8(11(13)14-2)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3

InChI key: InChIKey=KUAZONGQIBBKOP-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, 4-(chloromethyl)-α-methyl-, methyl ester
• Methyl p-(chloromethyl)-α-methylphenylacetate
• Methyl 4-(chloromethyl)-α-methylbenzeneacetate
• Methyl 2-[p-(chloromethyl)phenyl]propionate