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CAS 1229623-55-5

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Methyl β-oxo-1H-indole-3-butanoate

Description:
Methyl β-oxo-1H-indole-3-butanoate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features a β-oxo group, indicating the presence of a ketone functional group adjacent to a carbonyl, which contributes to its reactivity and potential biological activity. The butanoate moiety suggests that it is an ester, which can influence its solubility and volatility. Methyl β-oxo-1H-indole-3-butanoate may exhibit interesting pharmacological properties due to the indole framework, which is common in many natural products and pharmaceuticals. Its molecular structure allows for various interactions with biological targets, making it a candidate for research in medicinal chemistry. Additionally, the compound's synthesis and characterization would typically involve standard organic chemistry techniques, including spectroscopic methods for confirmation of its structure. As with many indole derivatives, it may also exhibit fluorescence, making it useful in various applications, including as a probe in biological studies.
Formula:C13H13NO3
InChI:InChI=1S/C13H13NO3/c1-17-13(16)7-10(15)6-9-8-14-12-5-3-2-4-11(9)12/h2-5,8,14H,6-7H2,1H3
InChI key:InChIKey=YLOGQXYEKGJCPI-UHFFFAOYSA-N
SMILES:C(C(CC(OC)=O)=O)C=1C=2C(NC1)=CC=CC2
Synonyms:
  • 1H-Indole-3-butanoic acid, β-oxo-, methyl ester
  • Methyl β-oxo-1H-indole-3-butanoate
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