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CAS 1006899-77-9

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2-Methyl-2-propanyl 6-bromo-1H-benzimidazole-1-carboxylate

Description:
2-Methyl-2-propanyl 6-bromo-1H-benzimidazole-1-carboxylate, with the CAS number 1006899-77-9, is a chemical compound that belongs to the class of benzimidazole derivatives. This compound typically features a benzimidazole core, which is a bicyclic structure containing both benzene and imidazole rings. The presence of a carboxylate group indicates that it is an ester, specifically derived from a benzimidazole carboxylic acid. The "6-bromo" designation suggests that a bromine atom is substituted at the sixth position of the benzimidazole ring, which can influence the compound's reactivity and biological activity. The "2-methyl-2-propanyl" portion refers to a branched alkyl group that can affect the compound's solubility and steric properties. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. Its specific characteristics, such as melting point, solubility, and reactivity, would require empirical data for precise determination.
Formula:C12H13BrN2O2
InChI:InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-7-14-9-5-4-8(13)6-10(9)15/h4-7H,1-3H3
InChI key:XLOBARPKKQPYLI-UHFFFAOYSA-N
SMILES:CC(C)(C)OC(=O)n1cnc2ccc(cc12)Br
Synonyms:
  • 1H-Benzimidazole-1-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
  • 6-Bromo-1H-benzimidazole-1-carboxylic acid 1,1-dimethylethyl ester
  • 1,1-dimethylethyl 6-bromo-1H-benzimidazole-1-carboxylate
  • tert-Butyl 6-bromo-1H-benzimidazole-1-carboxylate
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