CAS 348640-12-0: 1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate

Description: 1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate, with the CAS number 348640-12-0, is a chemical compound that features a complex structure characteristic of indole derivatives. This substance contains a bromine atom and a cyano group, which contribute to its reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its biological activity and solubility in organic solvents. The carboxylate functional group suggests that it may participate in various chemical reactions, including esterification and nucleophilic substitution. Additionally, the indole core is known for its significance in pharmaceuticals, often exhibiting diverse biological activities. Overall, this compound's unique combination of functional groups and structural features makes it a subject of interest for further research in synthetic chemistry and drug development.

Formula: C₁₄H₁₃BrN₂O₂

InChI: InChI=1S/C14H13BrN2O2/c1-14(2,3)19-13(18)17-8-11(15)10-6-9(7-16)4-5-12(10)17/h4-6,8H,1-3H3

InChI key: InChIKey=HVLILIWVZXFTEM-UHFFFAOYSA-N

SMILES: N#CC=1C=CC2=C(C1)C(Br)=CN2C(=O)OC(C)(C)C

Synonyms:

• 1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate
• 1-Boc-3-Bromo-5-cyanoindole
• 1H-Indole-1-carboxylic acid, 3-bromo-5-cyano-, 1,1-dimethylethyl ester
• 3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester
• tert-Butyl 3-bromo-5-cyano-1H-indole-1-carboxylate

1-Boc-3-Bromo-5-cyanoindole

CAS: 348640-12-0

• Formula: C₁₄H₁₃BrN₂O₂
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 321.1692

1-Boc-3-Bromo-5-cyanoindole

CAS: 348640-12-0

• Purity: 95.0%
• Molecular weight: 321.17401123046875

3-Bromo-5-cyano-1H-indole, N-BOC protected

CAS: 348640-12-0

• Purity: 98+%
• Molecular weight: 321.17g/mol

1-Boc-3-Bromo-5-cyanoindole

CAS: 348640-12-0

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• Formula: C₁₄H₁₃BrN₂O₂
• Purity: Min. 95%
• Molecular weight: 321.17 g/mol