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Chemical Structure| 134227-45-5 Chemical Structure| 134227-45-5

Structure of 134227-45-5

Chemical Structure| 134227-45-5

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Product Details of [ 134227-45-5 ]

CAS No. :134227-45-5
Formula : C7H2F3N
M.W : 157.09
SMILES Code : C1=C(C=C(F)C(=C1F)F)C#N
MDL No. :MFCD00074948
InChI Key :XFKYJMGXZXJYBS-UHFFFAOYSA-N
Pubchem ID :593814

Safety of [ 134227-45-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H331-H302-H312-H315-H319-H335
Precautionary Statements:P261-P280-P305+P351+P338-P304+P340
Class:6.1
UN#:3439
Packing Group:

Application In Synthesis of [ 134227-45-5 ]

* 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 [ 134227-45-5 ]

[ 134227-45-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 21642-98-8 ]
  • [ 134227-45-5 ]
  • 1-(4-cyano-2,6-difluorophenyl)-4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.65 g With potassium carbonate; In N,N-dimethyl-formamide; at 50℃; for 5.0h; A mixture of <strong>[21642-98-8]4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile</strong> (2.00 g), 3,4,5-trifluorobenzonitrile (2.93 g), potassium carbonate (3.68 g) and N,N-dimethylformamide (20 mL) was stirred at 50°C for 5 hr. The reaction mixture was slowly poured into saturated sodium hydrogen carbonate solution, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, and dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. To the residue was added a mixed solvent (10 mL) of isopropyl ether/ethyl acetate =4/1, and the mixture was stirred for 15 min. The precipitate was collected by filtration to give the title compound (1.65 g). MS (ESI+) : [M+H]+ 288.2
  • 2
  • [ 1255308-97-4 ]
  • [ 134227-45-5 ]
  • C61H32N4S3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
73.6% With caesium carbonate; In N,N-dimethyl-formamide; at 150℃; for 12h;Inert atmosphere; Schlenk technique; In a 100mL Schlenk bottle,Add 3,4,5-trifluorobenzonitrile 1.00 g (6.37 mmol)],<strong>[1255308-97-4]5H-[1]benzothieno[3,2-c]carbazole</strong> 3.20g (11.70mmol),Cesium carbonate 7.26g (22.28mmol),100 mL of N,N-dimethylformamide was stirred under reflux for 12 hours under argon atmosphere.The reaction is completed. After cooling to room temperature, pour into water and precipitate a pale yellow solid.The crude product was obtained by suction filtration.The crude product obtained by suction filtration was separated by column chromatography (silica gel was 350 mesh, eluent was petroleum ether: dichloromethane = 2:1 (V/V)), and the solvent was evaporated to dryness to give 4.30 g. Yellow solid,The yield was 73.6%.
 

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