CAS 1087791-93-2

Methyl 4-[[(2-chloro-1-oxopropyl)amino]methyl]benzoate

Description:

Methyl 4-[[(2-chloro-1-oxopropyl)amino]methyl]benzoate, identified by its CAS number 1087791-93-2, is a chemical compound that features a benzoate ester structure with a substituted amino group. This compound typically exhibits characteristics common to esters, such as being a colorless to pale yellow liquid or solid, depending on its purity and specific formulation. It is likely to be soluble in organic solvents, while its solubility in water may be limited due to the presence of hydrophobic aromatic and aliphatic groups. The presence of the chloro and amino functional groups suggests potential reactivity, particularly in nucleophilic substitution reactions. Methyl 4-[[(2-chloro-1-oxopropyl)amino]methyl]benzoate may also exhibit biological activity, making it of interest in pharmaceutical research. Safety data should be consulted for handling and potential hazards, as the chlorine atom may impart toxicity. Overall, this compound's unique structure positions it as a candidate for various applications in organic synthesis and medicinal chemistry.

Formula: C₁₂H₁₄ClNO₃

InChI: InChI=1S/C12H14ClNO3/c1-8(13)11(15)14-7-9-3-5-10(6-4-9)12(16)17-2/h3-6,8H,7H2,1-2H3,(H,14,15)

InChI key: InChIKey=IZDWLSJOGMNKOY-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-[[(2-chloro-1-oxopropyl)amino]methyl]-, methyl ester
• Methyl 4-[[(2-chloro-1-oxopropyl)amino]methyl]benzoate