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Chemical Structure| 1155846-86-8 Chemical Structure| 1155846-86-8

Structure of 1155846-86-8

Chemical Structure| 1155846-86-8

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Product Details of [ 1155846-86-8 ]

CAS No. :1155846-86-8
Formula : C13H6ClF3N2O2
M.W : 314.65
SMILES Code : N#CC1=CC(OC2=C(C(F)(F)F)C=CNC2=O)=CC(Cl)=C1
MDL No. :MFCD30185927
InChI Key :HWTORHRJFMRBLG-UHFFFAOYSA-N
Pubchem ID :58460048

Safety of [ 1155846-86-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 1155846-86-8 ]

* 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 [ 1155846-86-8 ]

[ 1155846-86-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1155846-86-8 ]
  • [ 252742-72-6 ]
  • [ 1338226-05-3 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 2h; Step 1(e): 3-chloro-5-({2-oxo-1-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile (1-6) A suspension of the 3-chloro-5-[2-hydroxy-4-(trifluoromethyl)pyridin-3-yl]oxy}benzonitrile (1-4; 2.00 g; 6.36 mmol), <strong>[252742-72-6]5-(chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one</strong> (1-5; 0.849 g; 6.36 mmol) and K2CO3 (0.878 g; 6.36 mmol) in DMF (32 mL) was stirred for 2 hours at room temperature, at which point LCMS analysis indicated complete conversion. The mixture was diluted with 200 mL Me-THF and washed with 150 mL 1:1:1 H2O:brine:saturated aqueous NH4Cl, then further washed with 2.x.150 mL 1:1 H2O:brine. The aqueous fractions were further extracted with 150 mL Me-THF, then the combined organic extracts were dried (Na2SO4) and concentrated in vacuo. Purification by ISCO CombiFlash (80 g column; dry load; 100:0 to 90:10 EtOAc:EtOH over 25 minutes) provided the title compound (1-6) as a white solid. 1HNMR (400 MHz, DMSO): delta 11.46 (s, 1 H); 11.39 (s, 1 H); 7.93 (d, J=7.3 Hz, 1 H); 7.76 (s, 1 H); 7.58 (s, 1 H); 7.51 (s, 1 H); 6.67 (d, J=7.3 Hz, 1 H); 5.02 (s, 2 H).
  • 2
  • [ 1155846-86-8 ]
  • [ 252742-72-6 ]
  • [ 1338226-05-3 ]
 

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