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CAS 1375064-65-5

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Ethyl 3-bromo-5-chloro-1H-indole-1-carboxylate

Description:
Ethyl 3-bromo-5-chloro-1H-indole-1-carboxylate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This specific compound features a carboxylate ester functional group, indicated by the ethyl ester moiety, which contributes to its reactivity and solubility properties. The presence of bromine and chlorine substituents at the 3 and 5 positions, respectively, introduces halogen functionalities that can influence the compound's chemical behavior, including its reactivity in nucleophilic substitution reactions and potential applications in medicinal chemistry. Ethyl 3-bromo-5-chloro-1H-indole-1-carboxylate may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential for interactions with biological targets, and its halogenated nature may enhance lipophilicity, affecting its pharmacokinetics. As with many indole derivatives, it may also participate in various chemical reactions, including coupling reactions and electrophilic aromatic substitutions, making it a versatile intermediate in organic synthesis.
Formula:C11H9BrClNO2
InChI:InChI=1S/C11H9BrClNO2/c1-2-16-11(15)14-6-9(12)8-5-7(13)3-4-10(8)14/h3-6H,2H2,1H3
InChI key:InChIKey=XLOYQOZPQDWJFQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)N1C=2C(C(Br)=C1)=CC(Cl)=CC2
Synonyms:
  • 1H-Indole-1-carboxylic acid, 3-bromo-5-chloro-, ethyl ester
  • Ethyl 3-bromo-5-chloro-1H-indole-1-carboxylate
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