CAS 1171917-34-2

1,1-Dimethylethyl 4-bromo-3-(2-cyanoacetyl)-1H-indole-1-carboxylate

Description:

1,1-Dimethylethyl 4-bromo-3-(2-cyanoacetyl)-1H-indole-1-carboxylate, identified by its CAS number 1171917-34-2, is a chemical compound that features a complex structure typical of indole derivatives. This substance contains a bromine atom, which contributes to its reactivity and potential applications in organic synthesis. The presence of a cyanoacetyl group suggests that it may exhibit interesting electronic properties and could participate in various chemical reactions, such as nucleophilic additions or cycloadditions. The ester functional group in the carboxylate moiety indicates that it may be involved in esterification or hydrolysis reactions. Additionally, the dimethyl substituents on the carbon backbone can influence the compound's steric hindrance and solubility characteristics. Overall, this compound may have potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological activity often associated with indole derivatives. However, specific properties such as solubility, melting point, and reactivity would require empirical data for precise characterization.

Formula: C₁₆H₁₅BrN₂O₃

InChI: InChI=1S/C16H15BrN2O3/c1-16(2,3)22-15(21)19-9-10(13(20)7-8-18)14-11(17)5-4-6-12(14)19/h4-6,9H,7H2,1-3H3

InChI key: InChIKey=ZURJGGAMMLKXNN-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C(C(CC#N)=O)=C1)=C(Br)C=CC2

Synonyms:

• 1H-Indole-1-carboxylic acid, 4-bromo-3-(2-cyanoacetyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-bromo-3-(2-cyanoacetyl)-1H-indole-1-carboxylate

1-Boc-4-bromo-3-cyanoacetylindole

Controlled Product

CAS: 1171917-34-2

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Formula: C₁₆H₁₅BrN₂O₃

Purity: Min. 95%

Molecular weight: 363.21 g/mol

Ref: 3D-WWB91734