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CAS 96551-21-2

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1,1-Dimethylethyl 3-(bromomethyl)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-(bromomethyl)-1H-indole-1-carboxylate, identified by its CAS number 96551-21-2, is a chemical compound that features an indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound is characterized by the presence of a bromomethyl group, which enhances its reactivity and potential for further chemical modifications. The ester functional group, indicated by the carboxylate moiety, suggests that it may exhibit properties typical of esters, such as volatility and solubility in organic solvents. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to steric hindrance, which can influence the compound's reactivity and interaction with biological systems. Overall, this compound may be of interest in synthetic organic chemistry and medicinal chemistry due to its unique structural features and potential applications in drug development or as an intermediate in chemical synthesis.
Formula:C14H16BrNO2
InChI:InChI=1S/C14H16BrNO2/c1-14(2,3)18-13(17)16-9-10(8-15)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3
InChI key:InChIKey=NRFDZZBPGMUOQD-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(CBr)=C1)=CC=CC2
Synonyms:
  • 1,1-Dimethylethyl 3-(bromomethyl)-1H-indole-1-carboxylate
  • 1-(tert-Butoxycarbonyl)-3-(bromomethyl)-1H-indole
  • 1-(tert-Butoxycarbonyl)-3-(bromomethyl)indole
  • 1H-Indole-1-carboxylic acid, 3-(bromomethyl)-, 1,1-dimethylethyl ester
  • 2-Methylpropan-2-yl 3-(bromomethyl)-1H-indole-1-carboxylate
  • 3-(Bromomethyl)-1-(tert-butoxycarbonyl)indole
  • 3-(Bromomethyl)indole-1-carboxylic acid tert-butyl ester
  • N-Boc-3-(bromomethyl)-1H-indole
  • Tert-Butyl 3-Bromomethyl-Indole-1-Carboxylate
  • tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate
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