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CAS 1245646-78-9

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1,1-Dimethylethyl 5-bromo-3-ethyl-1H-indazole-1-carboxylate

Description:
1,1-Dimethylethyl 5-bromo-3-ethyl-1H-indazole-1-carboxylate, identified by its CAS number 1245646-78-9, is a chemical compound that belongs to the indazole class, characterized by the presence of an indazole ring structure. This compound features a carboxylate functional group, which typically enhances its reactivity and solubility in various solvents. The presence of bromine and ethyl substituents on the indazole ring contributes to its unique chemical properties, potentially influencing its biological activity and interactions. The tert-butyl group (1,1-dimethylethyl) is known for providing steric hindrance, which can affect the compound's conformation and reactivity. Such compounds are often studied for their potential applications in pharmaceuticals, agrochemicals, and materials science due to their diverse functional groups and structural complexity. The specific characteristics, such as melting point, boiling point, and solubility, would require empirical data for precise values, but they are generally influenced by the molecular structure and substituents present in the compound.
Formula:C14H17BrN2O2
InChI:InChI=1S/C14H17BrN2O2/c1-5-11-10-8-9(15)6-7-12(10)17(16-11)13(18)19-14(2,3)4/h6-8H,5H2,1-4H3
InChI key:InChIKey=AXXHMYJAROTSOD-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(CC)=N1)=CC(Br)=CC2
Synonyms:
  • 1,1-Dimethylethyl 5-bromo-3-ethyl-1H-indazole-1-carboxylate
  • tert-Butyl 5-bromo-3-ethylindazole-1-carboxylate
  • 1H-Indazole-1-carboxylic acid, 5-bromo-3-ethyl-, 1,1-dimethylethyl ester
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