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CAS 1820707-98-9

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1,1-Dimethylethyl N-[5-iodo-2-(trifluoromethyl)-4-pyridinyl]carbamate

Description:
1,1-Dimethylethyl N-[5-iodo-2-(trifluoromethyl)-4-pyridinyl]carbamate, identified by its CAS number 1820707-98-9, is a chemical compound that belongs to the class of carbamates. This substance features a pyridine ring substituted with an iodine atom and a trifluoromethyl group, contributing to its unique chemical properties. The presence of the dimethyl group enhances its steric bulk, which can influence its reactivity and interaction with biological targets. The trifluoromethyl group is known for imparting lipophilicity and can enhance the compound's metabolic stability. The iodine atom may also play a role in the compound's biological activity, potentially affecting its binding affinity to specific receptors or enzymes. Overall, this compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique functional groups and the ability to modulate biological pathways. However, specific characteristics such as solubility, melting point, and biological activity would require empirical data for comprehensive understanding.
Formula:C11H12F3IN2O2
InChI:InChI=1S/C11H12F3IN2O2/c1-10(2,3)19-9(18)17-7-4-8(11(12,13)14)16-5-6(7)15/h4-5H,1-3H3,(H,16,17,18)
InChI key:InChIKey=JEMNPEWMULFGTP-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)C=1C=C(C(F)(F)F)N=CC1I
Synonyms:
  • tert-Butyl N-[5-iodo-2-(trifluoromethyl)pyridin-4-yl]carbamate
  • Carbamic acid, N-[5-iodo-2-(trifluoromethyl)-4-pyridinyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[5-iodo-2-(trifluoromethyl)-4-pyridinyl]carbamate
  • tert-Butyl 2-(trifluoromethyl)-5-iodopyridin-4-ylcarbamate
  • tert-Butyl (5-iodo-2-(trifluoromethyl)pyridin-4-yl)carbamate
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