CAS 379255-44-4

Methyl 4-[[(2-chloroacetyl)amino]methyl]benzoate

Description:

Methyl 4-[[(2-chloroacetyl)amino]methyl]benzoate, identified by its CAS number 379255-44-4, is an organic compound characterized by its ester functional group and the presence of a chloroacetyl moiety. This compound features a methyl ester derived from benzoic acid, with an amino group that is substituted with a chloroacetyl group at the para position relative to the ester. The presence of the chlorine atom enhances its reactivity, making it useful in various chemical syntheses. Methyl 4-[[(2-chloroacetyl)amino]methyl]benzoate is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both the amine and the chloroacetyl functionalities, which can participate in further chemical reactions. Safety data should be consulted for handling, as the chloroacetyl group can pose hazards. Overall, this compound exemplifies the complexity and utility of substituted benzoate derivatives in organic synthesis.

Formula: C₁₁H₁₂ClNO₃

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

InChI key: InChIKey=MSDHDGHQLVRHJA-UHFFFAOYSA-N

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

Synonyms:

• Methyl 4-[[(2-chloroacetyl)amino]methyl]benzoate
• Benzoic acid, 4-[[(chloroacetyl)amino]methyl]-, methyl ester
• Benzoic acid, 4-[[(2-chloroacetyl)amino]methyl]-, methyl ester

Methyl 4-[(2-chloroacetamido)methyl]benzoate

CAS: 379255-44-4

Versatile small molecule scaffold

Formula: C₁₁H₁₂ClNO₃

Purity: Min. 95%

Molecular weight: 241.67 g/mol

Ref: 3D-EQA25544