CAS 129994-60-1

Methyl 2-[(benzoylamino)methyl]-3-oxobutanoate

Description:

Methyl 2-[(benzoylamino)methyl]-3-oxobutanoate, with the CAS number 129994-60-1, is an organic compound characterized by its complex structure that includes a methyl ester, a ketone, and an amide functional group. This compound typically appears as a crystalline solid or a viscous liquid, depending on its purity and specific conditions. It is soluble in organic solvents such as ethanol and acetone but may have limited solubility in water due to its hydrophobic benzoyl group. The presence of the benzoylamino group suggests potential applications in pharmaceuticals, particularly in drug design and synthesis, as it may exhibit biological activity. The compound's reactivity is influenced by the ketone and amide functionalities, allowing for various chemical transformations. Additionally, it may participate in condensation reactions or serve as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper laboratory practices.

Formula: C₁₃H₁₅NO₄

InChI: InChI=1S/C13H15NO4/c1-9(15)11(13(17)18-2)8-14-12(16)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,14,16)

InChI key: InChIKey=LVJARDSTTGGMSM-UHFFFAOYSA-N

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

Synonyms:

• Methyl 2-benzamidomethyl-3-oxobutanoate
• Methyl 2-[(benzoylamino)methyl]-3-oxobutanoate
• Butanoic acid, 2-[(benzoylamino)methyl]-3-oxo-, methyl ester

Methyl 2-(benzamidomethyl)-3-oxobutanoate

CAS: 129994-60-1

Formula: C₁₃H₁₅NO₄

Molecular weight: 249.2625

Ref: IN-DA000TUD