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CAS 1172623-96-9

:

tert-butyl[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbamate

Description:
Tert-butyl[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbamate is a chemical compound characterized by its unique structure, which includes a tert-butyl group, a carbamate functional group, and a pent-4-yn-2-yl moiety with a difluorophenyl substituent. The presence of the difluorophenyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the influence of fluorine atoms on biological activity and lipophilicity. The compound's structure indicates it may exhibit specific reactivity patterns typical of carbamates, such as hydrolysis or nucleophilic substitution. Additionally, the alkyne functionality (pent-4-yn) may allow for further chemical modifications or reactions, making it a versatile intermediate in organic synthesis. The compound's stability, solubility, and reactivity would depend on the surrounding conditions, such as pH and solvent polarity. Overall, this compound represents a complex organic molecule with potential applications in various fields, including drug development and synthetic chemistry.
Formula:C16H17F2NO3
InChI:InChI=1S/C16H17F2NO3/c1-5-6-13(19-15(21)22-16(2,3)4)14(20)11-9-10(17)7-8-12(11)18/h1,7-9,13H,6H2,2-4H3,(H,19,21)
InChI key:InChIKey=FCPUEOMVOKWZQD-UHFFFAOYSA-N
SMILES:C(C(NC(OC(C)(C)C)=O)CC#C)(=O)C1=C(F)C=CC(F)=C1
Synonyms:
  • tert-Butyl [1-(2,5-difluorophenyl)-1-oxo-4-pentyn-2-yl]carbamate
  • 1,1-Dimethylethyl N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]carbamate
  • Carbamic acid, N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]-, 1,1-dimethylethyl ester
  • tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate
  • tert-butyl[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbam...
  • tert-butyl N-[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbamate
  • 2-(Boc-amino)-1-(2,5-difluorophenyl)-4-pentyn-1-one
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