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Chemical Structure| 80194-70-3 Chemical Structure| 80194-70-3

Structure of 80194-70-3

Chemical Structure| 80194-70-3

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Product Details of [ 80194-70-3 ]

CAS No. :80194-70-3
Formula : C7H2ClF3N2
M.W : 206.55
SMILES Code : FC(F)(F)C1=CN=C(C#N)C(Cl)=C1
MDL No. :MFCD00664066
InChI Key :FUPKVFJSGNZICR-UHFFFAOYSA-N
Pubchem ID :1473374

Safety of [ 80194-70-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 80194-70-3 ]

* 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 [ 80194-70-3 ]

[ 80194-70-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 80194-70-3 ]
  • [ 175277-74-4 ]
  • [ 164341-39-3 ]
YieldReaction ConditionsOperation in experiment
97%; 0.05% With hydrogen; acetic acid;nickel; at 40 - 45℃; under 13501.4 Torr; for 4h; Example of the preparation of 2-aminomethyl-3-chloro-5-trifluoromethylpyridine 400g of acetic acid and 6g of Ni-Ra (previously washed with water until washings were at a pH of 7) were loaded in a 1L stainless steel reactor. The reactor was purged with nitrogen and then hydrogen. Heating was applied to the reactor to raise the temperature up to 40C and the reactor pressure was raised to 18 bar with hydrogen. 120g of 3-chloro-2-cyano-5-trifluoromethylpyridine (0.571 mol) were added by pump over 2 hours. The reaction was exothermic and temperature raised to 45C. Hydrogen consumption was monitored. After 2 hours, no more hydrogen was consumed and the reaction was complete. The mixture was cooled down to 20C and then vented off and purged with nitrogen. The catalyst was filtered. The solution of 2-aminomethyl-3-chloro-5-trifluoromethylpyridine acetic acid salt was assayed by liquid chromatography. 0.558 moles of 2-aminomethyl-3-chloro-5-trifluoromethylpyridine was formed and a 97% yield of 2-aminomethyl-3-chloro-5-trifluoromethylpyridine over 3-chloro-2-cyano-5-trifluoromethylpyridine was obtained. A yield of only 0.05% yield of the dechlorinated analogue was obtained.
 

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