CAS 74553-27-8

Methyl 3-[[(2-chloroacetyl)amino]methyl]benzoate

Description:

Methyl 3-[[(2-chloroacetyl)amino]methyl]benzoate, with the CAS number 74553-27-8, is an organic compound characterized by its complex structure that includes a benzoate moiety, an amide linkage, and a chloroacetyl group. This compound typically appears as a solid or liquid, depending on its specific formulation and purity. It is soluble in organic solvents, which is common for many benzoate derivatives, but may have limited solubility in water due to its hydrophobic aromatic structure. The presence of the chloroacetyl group suggests potential reactivity, particularly in nucleophilic substitution reactions, making it of interest in synthetic organic chemistry. Additionally, the compound may exhibit biological activity, which could be relevant in pharmaceutical applications. Safety data should be consulted, as the chloroacetyl moiety can impart toxicity and reactivity. Overall, Methyl 3-[[[2-chloroacetyl)amino]methyl]benzoate is a compound of interest for its chemical properties and potential applications in various fields, including medicinal chemistry and materials science.

Formula: C₁₁H₁₂ClNO₃

InChI: InChI=1S/C11H12ClNO3/c1-16-11(15)9-4-2-3-8(5-9)7-13-10(14)6-12/h2-5H,6-7H2,1H3,(H,13,14)

InChI key: InChIKey=JJWREUZQIUWQLD-UHFFFAOYSA-N

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

Synonyms:

• 3-[(2-Chloro-acetylamino)-methyl]-benzoic acid methyl ester
• Benzoic acid, 3-[[(chloroacetyl)amino]methyl]-, methyl ester
• Methyl 3-[[(2-chloroacetyl)amino]methyl]benzoate
• Benzoic acid, 3-[[(2-chloroacetyl)amino]methyl]-, methyl ester