CAS 1017968-67-0

1,1-Dimethylethyl 3-[(1Z)-2-bromo-3-ethoxy-3-oxo-1-propen-1-yl]-2-phenyl-1H-indole-1-carboxylate

Description:

1,1-Dimethylethyl 3-[(1Z)-2-bromo-3-ethoxy-3-oxo-1-propen-1-yl]-2-phenyl-1H-indole-1-carboxylate, with CAS number 1017968-67-0, is a complex 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 carboxylate ester functional group, indicating it can participate in various chemical reactions typical of esters, such as hydrolysis and transesterification. The presence of a bromo substituent suggests potential reactivity in nucleophilic substitution reactions. Additionally, the ethoxy group contributes to its solubility properties and may influence its biological activity. The compound's structure indicates it may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. Its synthesis and characterization would typically involve standard organic synthesis techniques, and its stability and reactivity would be influenced by the steric and electronic effects of the substituents present.

Formula: C₂₄H₂₄BrNO₄

InChI: InChI=1S/C24H24BrNO4/c1-5-29-22(27)19(25)15-18-17-13-9-10-14-20(17)26(23(28)30-24(2,3)4)21(18)16-11-7-6-8-12-16/h6-15H,5H2,1-4H3/b19-15-

InChI key: InChIKey=XLTKHHKDDXXUSK-CYVLTUHYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(=C(/C=C(/C(OCC)=O)\Br)C=2C1=CC=CC2)C3=CC=CC=C3

Synonyms:

• 1,1-Dimethylethyl 3-[(1Z)-2-bromo-3-ethoxy-3-oxo-1-propen-1-yl]-2-phenyl-1H-indole-1-carboxylate
• 1H-Indole-1-carboxylic acid, 3-[(1Z)-2-bromo-3-ethoxy-3-oxo-1-propen-1-yl]-2-phenyl-, 1,1-dimethylethyl ester