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CAS 929617-39-0

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1,1-Dimethylethyl 6-amino-5-bromo-1H-indazole-1-carboxylate

Description:
1,1-Dimethylethyl 6-amino-5-bromo-1H-indazole-1-carboxylate, identified by its CAS number 929617-39-0, is a chemical compound that belongs to the indazole class, which is characterized by a five-membered ring structure containing two nitrogen atoms. This compound features a bromo substituent at the 5-position and an amino group at the 6-position of the indazole ring, contributing to its reactivity and potential biological activity. The presence of the dimethyl group at the 1-position enhances its lipophilicity, which may influence its pharmacokinetic properties. As an ester, the carboxylate functional group suggests potential for hydrolysis under certain conditions, which could affect its stability and solubility in various solvents. The compound may exhibit interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. However, specific data regarding its toxicity, biological activity, and applications would require empirical studies and literature review for comprehensive understanding.
Formula:C12H14BrN3O2
InChI:InChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)16-10-5-9(14)8(13)4-7(10)6-15-16/h4-6H,14H2,1-3H3
InChI key:InChIKey=WWQUUMLKQHHYML-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=N1)=CC(Br)=C(N)C2
Synonyms:
  • 1H-Indazole-1-carboxylic acid, 6-amino-5-bromo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 6-amino-5-bromo-1H-indazole-1-carboxylate
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