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CAS 5548-09-4

:

Methyl 3-(1H-indol-3-yl)propanoate

Description:
Methyl 3-(1H-indol-3-yl)propanoate, with the CAS number 5548-09-4, is an organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This substance features a propanoate group attached to the indole moiety, contributing to its ester classification. It is typically a colorless to pale yellow liquid with a pleasant odor, and it is soluble in organic solvents such as ethanol and dichloromethane, but has limited solubility in water. The compound is of interest in various fields, including medicinal chemistry, due to its potential biological activities, including anti-inflammatory and anticancer properties. Its synthesis often involves the reaction of indole derivatives with propanoic acid or its derivatives. As with many organic compounds, proper handling and safety precautions are essential, as it may pose health risks if ingested or inhaled. Overall, Methyl 3-(1H-indol-3-yl)propanoate serves as a valuable building block in organic synthesis and pharmaceutical research.
Formula:C12H13NO2
InChI:InChI=1S/C12H13NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2,1H3
InChI key:InChIKey=BAYIDMGOQRXHBC-UHFFFAOYSA-N
SMILES:C(CC(OC)=O)C=1C=2C(NC1)=CC=CC2
Synonyms:
  • 1H-Indole-3-propanoic acid, methyl ester
  • 1H-Indole-3-propanoic acid, methyl ester (9CI)
  • 3-(1H-Indol-3-yl)-propionic acid methyl ester
  • Indole-3-Propionic Acid, Methyl Ester
  • Methyl .beta.-(3-indolyl)-propionate
  • Methyl 1H-indole-3-propanoate
  • Methyl 1H-indole-3-propionate
  • Methyl 3-(3-indolyl)propanoate
  • Methyl 3-(indol-3-yl)propionate
  • Methyl indole-3-propanoate
  • See more synonyms
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