Basic information Safety Supplier Related

tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate

Basic information Safety Supplier Related

tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate Basic information

Product Name:
tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate
Synonyms:
  • 2-(Boc-amino)-1-(2,5-difluorophenyl)-4-pentyn-1-one
  • tert-butyl N-[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbamate
  • tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate
  • tert-Butyl [1-(2,5-difluorophenyl)-1-oxo-4-pentyn-2-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-yl]carbam...
  • TB-2123
CAS:
1172623-96-9
MF:
C16H17F2NO3
MW:
309.31
Mol File:
1172623-96-9.mol
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tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate Chemical Properties

Boiling point:
429.7±45.0 °C(Predicted)
Density 
1.199±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
pka
10.20±0.46(Predicted)
Appearance
Off-white to yellow Solid
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)
InChIKey
FCPUEOMVOKWZQD-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)NC(C(=O)C1=CC(F)=CC=C1F)CC#C
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tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate Usage And Synthesis

Uses

tert-Butyl (1-(2,5-Difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate is used as a reactant in the preparation of a highly functionalized tetrahydropyran DPP-4 inhibitor.

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