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Structure of 60406-75-9

Chemical Structure| 60406-75-9

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Product Details of [ 60406-75-9 ]

CAS No. :60406-75-9
Formula : C3H2F3N3
M.W : 137.06
SMILES Code : FC(C1=NNC=N1)(F)F
MDL No. :MFCD11847494
InChI Key :KZAQTVQJVOALDK-UHFFFAOYSA-N
Pubchem ID :18944011

Safety of [ 60406-75-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 60406-75-9 ]

* 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 [ 60406-75-9 ]

[ 60406-75-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 85953-29-3 ]
  • [ 60406-75-9 ]
  • methyl 2-chloro-4-(3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 100℃; for 12.0h; To a solution of <strong>[85953-29-3]methyl 2-chloro-4-fluorobenzoate</strong> (1.0 g, 5.3 mmol) in DMF (40 mL) were added 3-(trifluoromethyl)-lH-l,2,4-triazole (0.73 g, 5.3 mmol) and potassium carbonate (0.73 g, 5.3 mmol) at room temperature. The reaction mixture was stirred at 100C for 12 h. After cooling to room temperature, it was diluted with H20 and extracted with EtOAc. The extract was washed with H20 and brine, dried over Na2S04, filtered and concentrated in vacuo. The residue was purified by silica gel flash chromatography (eluent: Hexane : EtOAc = 90: 10-20:80) to give compound methyl 2-chloro-4-(3-(trifluoromethyl)-lH-l,2,4-triazol-l-yl)benzoate. LCMS calc. = 306.02; found = 306.10 (M+H)+. NMR (500 MHz, DMSO-d6): delta 9.73 (s, 1H); 8.22 (s, 1H); 8.21-8.01 (m, 2H); 3.89 (s, 3H).
 

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