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CAS 914349-33-0

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1,1-Dimethylethyl 3-bromo-4-chloro-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 3-bromo-4-chloro-1H-indole-1-carboxylate, with the CAS number 914349-33-0, is a chemical compound that features a complex structure characteristic of indole derivatives. This compound contains a carboxylate functional group, which is indicative of its potential reactivity and solubility properties. The presence of bromine and chlorine substituents on the indole ring suggests that it may exhibit unique electronic and steric properties, potentially influencing its biological activity and reactivity in various chemical reactions. The tert-butyl group (1,1-dimethylethyl) enhances the lipophilicity of the molecule, which may affect its interaction with biological membranes and its overall pharmacokinetic profile. Such compounds are often of interest in medicinal chemistry for their potential therapeutic applications, particularly in the development of new pharmaceuticals. Additionally, the structural features may allow for further derivatization, making it a versatile building block in organic synthesis. Overall, this compound exemplifies the intricate balance of functional groups that can dictate the behavior and utility of organic molecules in chemical research.
Formula:C13H13BrClNO2
InChI:InChI=1S/C13H13BrClNO2/c1-13(2,3)18-12(17)16-7-8(14)11-9(15)5-4-6-10(11)16/h4-7H,1-3H3
InChI key:InChIKey=WBLBNWKEFLCKSG-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(Br)=C1)=C(Cl)C=CC2
Synonyms:
  • 1H-Indole-1-carboxylic acid, 3-bromo-4-chloro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-bromo-4-chloro-1H-indole-1-carboxylate
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