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CAS 840481-77-8

:

1,1-Dimethylethyl 4-iodo-1H-imidazole-1-carboxylate

Description:
1,1-Dimethylethyl 4-iodo-1H-imidazole-1-carboxylate, with the CAS number 840481-77-8, is a chemical compound characterized by its imidazole ring structure, which is a five-membered aromatic heterocycle containing two nitrogen atoms. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of the 4-iodo substituent enhances its electrophilic character, making it useful in various synthetic applications, particularly in organic synthesis and medicinal chemistry. The tert-butyl group (1,1-dimethylethyl) provides steric hindrance, which can influence the compound's reactivity and stability. Typically, compounds like this may exhibit moderate to high polarity due to the carboxylate group, affecting their solubility in polar solvents. Additionally, the presence of iodine can impart unique properties, such as increased molecular weight and potential for halogen bonding. Overall, this compound's structural features suggest it may have applications in drug development or as an intermediate in chemical synthesis.
Formula:C8H11IN2O2
InChI:InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-4-6(9)10-5-11/h4-5H,1-3H3
InChI key:InChIKey=GRUJHCRLXRVGRX-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=NC(I)=C1
Synonyms:
  • 1,1-Dimethylethyl 4-iodo-1H-imidazole-1-carboxylate
  • 4-Iodoimidazole-1-carboxylic acid tert-butyl ester
  • 1H-Imidazole-1-carboxylic acid, 4-iodo-, 1,1-dimethylethyl ester
  • tert-Butyl 4-iodo-1H-imidazole-1-carboxylate
  • 1-Boc-4-iodo-1H-imidazole
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