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CAS 301533-59-5

:

3-Methyl-4-butyrylaminobenzoic acid methyl ester

Description:
3-Methyl-4-butyrylaminobenzoic acid methyl ester, identified by its CAS number 301533-59-5, is an organic compound that belongs to the class of substituted benzoic acids. This compound features a methyl ester functional group, which enhances its solubility in organic solvents and may influence its biological activity. The presence of a butyrylamine group indicates potential interactions with biological systems, making it of interest in pharmaceutical research. Its structure includes a methyl group at the 3-position and a butyryl group at the 4-position of the aromatic ring, which can affect its steric and electronic properties. The compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic groups, which may facilitate membrane permeability. Additionally, it may possess various functional properties, such as potential antimicrobial or anti-inflammatory activities, although specific biological effects would require empirical investigation. As with many organic compounds, safety data and handling precautions should be considered, particularly in laboratory settings.
Formula:C13H17NO3
InChI:InChI=1S/C13H17NO3/c1-4-5-12(15)14-11-7-6-10(8-9(11)2)13(16)17-3/h6-8H,4-5H2,1-3H3,(H,14,15)
InChI key:InChIKey=RZMQQYDXKPDLJH-UHFFFAOYSA-N
SMILES:N(C(CCC)=O)C1=C(C)C=C(C(OC)=O)C=C1
Synonyms:
  • 3-Methyl-4-butyrylaminobenzoic acid methyl ester
  • 4-Butylacetamino-3-methylbenzoic acid methyl ester
  • 4-Butyrylamino-3-methylbenzoic acid methyl ester
  • Benzoic acid, 3-methyl-4-[(1-oxobutyl)amino]-, methyl ester
  • Methyl 4-(Butanoylamino)-3-Methylbenzoate
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