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CAS 1314406-46-6

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1,1-Dimethylethyl 3-bromo-6-fluoro-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-bromo-6-fluoro-1H-indole-1-carboxylate, with the CAS number 1314406-46-6, is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of a carboxylate group indicates that it is an ester, specifically with a tert-butyl group (1,1-dimethylethyl) attached, which contributes to its steric bulk and may influence its reactivity and solubility. The bromine and fluorine substituents at the 3 and 6 positions, respectively, introduce halogen functionalities that can affect the compound's electronic properties and potential reactivity, making it of interest in medicinal chemistry and material science. The compound's unique combination of substituents may also impart specific biological activities, making it a candidate for further investigation in drug development. Overall, its structural features suggest potential applications in various chemical and pharmaceutical contexts.
Formula:C13H13BrFNO2
InChI:InChI=1S/C13H13BrFNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3
InChI key:InChIKey=MAERWTKKEZHNEC-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(Br)=C1)=CC=C(F)C2
Synonyms:
  • 1-Boc-3-bromo-6-fluoroindole
  • 1,1-Dimethylethyl 3-bromo-6-fluoro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 3-bromo-6-fluoro-, 1,1-dimethylethyl ester
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