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CAS 459133-69-8

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tert-butyl 3-iodo-5-nitro-indazole-1-carboxylate

Description:
Tert-butyl 3-iodo-5-nitro-indazole-1-carboxylate is a chemical compound characterized by its indazole core, which is a bicyclic structure containing a five-membered ring fused to a six-membered ring. The presence of a tert-butyl group enhances its lipophilicity, making it more soluble in organic solvents. The iodo substituent at the 3-position introduces a halogen, which can influence the compound's reactivity and potential applications in organic synthesis, particularly in nucleophilic substitution reactions. The nitro group at the 5-position serves as a strong electron-withdrawing group, which can affect the compound's electronic properties and reactivity. Additionally, the carboxylate moiety at the 1-position contributes to the compound's acidity and can participate in various chemical reactions, including esterification and amidation. Overall, this compound's unique structural features make it of interest in medicinal chemistry and material science, where it may serve as a precursor for the synthesis of more complex molecules or as a potential bioactive agent.
Formula:C12H12IN3O4
InChI:InChI=1/C12H12IN3O4/c1-12(2,3)20-11(17)15-9-5-4-7(16(18)19)6-8(9)10(13)14-15/h4-6H,1-3H3
SMILES:CC(C)(C)OC(=O)n1c2ccc(cc2c(I)n1)N(=O)=O
Synonyms:
  • tert-Butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate1H-Indazole-1-carboxylic acid, 3-iodo-5-nitro-, 1,1-dimethylethyl ester
  • 3-Iodo-5-nitro-indazole-1-carboxylic acid tert-butyl ester
  • 3-IODO-5-NITRO-1H-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • tert-Butyl 3-iodo-5-nitro-1H-indazole-1-carboxylate
  • 1-Boc-3-Iodo-5-nitro-1H-indazole
  • tert-butyl 3-iodo-5-nitroindazole-1-carboxylate
  • 1H-Indazole-1-carboxylic acid, 3-iodo-5-nitro-, 1,1-diMethylethyl ester
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