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CAS 1353877-93-6

:

1,1-Dimethylethyl 5-cyano-3-formyl-6-(trifluoromethyl)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 5-cyano-3-formyl-6-(trifluoromethyl)-1H-indole-1-carboxylate, identified by its CAS number 1353877-93-6, is a synthetic organic compound characterized by its complex structure, which includes an indole ring, a cyano group, and a trifluoromethyl substituent. This compound typically exhibits properties associated with indole derivatives, such as potential biological activity and reactivity due to the presence of functional groups like the cyano and formyl moieties. The trifluoromethyl group often enhances lipophilicity and can influence the compound's pharmacokinetic properties. Additionally, the tert-butyl group (1,1-dimethylethyl) may provide steric hindrance, affecting the compound's interactions with biological targets. Such compounds are of interest in medicinal chemistry for their potential applications in drug development, particularly in the fields of oncology and neurology. However, specific physical and chemical properties such as solubility, melting point, and stability would require empirical data for precise characterization.
Formula:C16H13F3N2O3
InChI:InChI=1S/C16H13F3N2O3/c1-15(2,3)24-14(23)21-7-10(8-22)11-4-9(6-20)12(5-13(11)21)16(17,18)19/h4-5,7-8H,1-3H3
InChI key:InChIKey=AMWSIEOMRUFPNO-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(C=O)=C1)=CC(C#N)=C(C(F)(F)F)C2
Synonyms:
  • 1H-Indole-1-carboxylic acid, 5-cyano-3-formyl-6-(trifluoromethyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5-cyano-3-formyl-6-(trifluoromethyl)-1H-indole-1-carboxylate
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