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Chemical Structure| 6314-14-3 Chemical Structure| 6314-14-3

Structure of 6314-14-3

Chemical Structure| 6314-14-3

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Product Details of [ 6314-14-3 ]

CAS No. :6314-14-3
Formula : C6H6N2O3S
M.W : 186.19
SMILES Code : O=C(C1=NC(SC)=NC(O)=C1)O
MDL No. :MFCD00023236

Safety of [ 6314-14-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 6314-14-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 6314-14-3 ]

[ 6314-14-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6314-14-3 ]
  • [ 15996-84-6 ]
  • C15H14F3N3O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; General procedure: The racemic mixture of the title compound obtained using procedure described in scheme A and Example 8 was resolved by chiral separation on OJ column with 15% ]4eOH/C02 to afford isomerA (faster eluting), (R)2-.(inethylthio).-6oxo-.N.( I (4-(trif1uoromethyl)phenyl)ethy1)- I ,6-.dihydro pyrimidine.-4-carboxamide and isomer B (slower eluting), (S)-2-methyithio)..6.-oxoN-(l (4.. (trifluoromethyi)phenyl)ethyl)-i ,6dihydro pyrimidine.-4carboxamide. MS: 358.1 (M+H).
  • 2
  • [ 6314-14-3 ]
  • [ 15996-84-6 ]
  • (R)-2-(methylthio)-6-oxo-N-(1-(4-(trifluoromethyl)phenyl)ethyl)-1,6-dihydropyrimidine-4-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; To a stirred mixture of 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid (5.0 g,mmol) in DMF (60 mL) was added <strong>[15996-84-6]1-(4-(trifluoromethyl)phenyl)ethanamine</strong> (5.59 g, 29.5 mmol), HATU (15.32 g, 40.3 mmol) and DIEA (18.76 mL, 107 mmol). The resulting mixture was stirredRT overnight. The reaction mixture was diluted with EtOAc and sat’d NH4C1. The combined organic layers were washed with water, brine and dried over anhydrous sodium sulfate and concentratedunder reduced pressure. The residue was purified by column chromatography on silica gelwith 10 to 90% EtOAc in hexanes to yield the racemic product, which was resolved on a ChiralPak OJ column with 15% MeOH in CO2 to yield the title compound as the slower-eluting enantiomer. LC-MS: 399.1 (M+MeCN+H) and 358.1 (M+H).
 

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