CAS 83846-67-7

Benzoic acid, 2-[(ethoxycarbonyl)amino]-, methyl ester

Description:

Benzoic acid, 2-[(ethoxycarbonyl)amino]-, methyl ester, with the CAS number 83846-67-7, is an organic compound characterized by its ester functional group and the presence of both benzoic acid and an ethoxycarbonylamino moiety. This compound typically appears as a white to off-white solid and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the ethoxycarbonyl group contributes to its reactivity, making it a potential intermediate in organic synthesis. It may exhibit moderate to low toxicity, and safety precautions should be taken when handling it, as with many organic compounds. The compound's structure suggests potential applications in pharmaceuticals, agrochemicals, or as a building block in the synthesis of more complex molecules. Its chemical behavior can be influenced by factors such as pH and temperature, which may affect its stability and reactivity in various chemical reactions.

Formula: C₁₁H₁₃NO₄

InChI: InChI=1S/C11H13NO4/c1-3-16-11(14)12-9-7-5-4-6-8(9)10(13)15-2/h4-7H,3H2,1-2H3,(H,12,14)

InChI key: InChIKey=XSEONJBZTZZGCV-UHFFFAOYSA-N

SMILES: N(C(OCC)=O)C1=C(C(OC)=O)C=CC=C1

Synonyms:

• 2-(Ethoxycarbonylamino)benzoic acid methyl ester
• Isatoic acid, N-ethyl methyl ester
• Benzoic acid, 2-[(ethoxycarbonyl)amino]-, methyl ester
• Methyl 2-ethoxycarbonylaminobenzoate
• Methyl 2-((ethoxycarbonyl)amino)benzoate