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CAS 81937-41-9

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Benzoic acid, 2-[(1,3-dioxobutyl)amino]-, methyl ester

Description:
Benzoic acid, 2-[(1,3-dioxobutyl)amino]-, methyl ester, identified by CAS number 81937-41-9, is an organic compound characterized by its ester functional group and the presence of a benzoic acid moiety. This compound features a methyl ester group, which enhances its solubility in organic solvents. The presence of the 1,3-dioxobutyl amino group contributes to its potential biological activity and reactivity, making it of interest in various chemical and pharmaceutical applications. Typically, compounds of this nature exhibit moderate polarity due to the combination of hydrophobic aromatic and hydrophilic functional groups. They may also display moderate to high melting and boiling points relative to simpler esters, influenced by their molecular structure and intermolecular interactions. Additionally, benzoic acid derivatives are known for their antimicrobial properties, which may be relevant in food preservation and medicinal chemistry. Overall, this compound's unique structure suggests potential utility in synthetic organic chemistry and drug development.
Formula:C12H13NO4
InChI:InChI=1S/C12H13NO4/c1-8(14)7-11(15)13-10-6-4-3-5-9(10)12(16)17-2/h3-6H,7H2,1-2H3,(H,13,15)
InChI key:InChIKey=ZMRPSFSQZDTZLX-UHFFFAOYSA-N
SMILES:N(C(CC(C)=O)=O)C1=C(C(OC)=O)C=CC=C1
Synonyms:
  • 2-(3-Oxobutanoylamino)benzoic acid methyl ester
  • Anthranilic acid, N-acetoacetyl-, methyl ester
  • Benzoic acid, 2-[(1,3-dioxobutyl)amino]-, methyl ester
  • Methyl 2-[(1,3-dioxobutyl)amino]benzoate
  • N-Acetoacetanthranilic acid methyl ester
  • Methyl N-acetoacetylanthranilate
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