CAS 1628318-10-4

1,1-Dimethylethyl 5-(bromomethyl)-2-cyano-1H-indole-1-carboxylate

Description:

1,1-Dimethylethyl 5-(bromomethyl)-2-cyano-1H-indole-1-carboxylate, identified by its CAS number 1628318-10-4, is a chemical compound that features a complex structure typical of indole derivatives. This substance contains a cyano group, which contributes to its reactivity and potential applications in organic synthesis. The presence of a bromomethyl group suggests that it may participate in nucleophilic substitution reactions, making it a useful intermediate in the synthesis of more complex molecules. The tert-butyl group (1,1-dimethylethyl) enhances the compound's lipophilicity, potentially influencing its solubility and biological activity. Additionally, the carboxylate moiety indicates that it may exhibit acidic properties, which can be relevant in various chemical reactions. Overall, this compound's unique combination of functional groups positions it as a valuable candidate for research in medicinal chemistry and materials science, where indole derivatives are often explored for their diverse biological activities and applications.

Formula: C₁₅H₁₅BrN₂O₂

InChI: InChI=1S/C15H15BrN2O2/c1-15(2,3)20-14(19)18-12(9-17)7-11-6-10(8-16)4-5-13(11)18/h4-7H,8H2,1-3H3

InChI key: InChIKey=YUUTYVWDOQDRDA-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C=C1C#N)=CC(CBr)=CC2

Synonyms:

• 1,1-Dimethylethyl 5-(bromomethyl)-2-cyano-1H-indole-1-carboxylate
• 1H-Indole-1-carboxylic acid, 5-(bromomethyl)-2-cyano-, 1,1-dimethylethyl ester