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[ CAS No. 159981-19-8 ]

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Chemical Structure| 159981-19-8
Chemical Structure| 159981-19-8
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CAS No. :159981-19-8 MDL No. :MFCD06738679
Formula : C8H6F3NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :205.13 g/mol Pubchem ID :21698499
Synonyms :

Safety of [ 159981-19-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 159981-19-8 ]

  • Upstream synthesis route of [ 159981-19-8 ]
  • Downstream synthetic route of [ 159981-19-8 ]

[ 159981-19-8 ] Synthesis Path-Upstream   1~3

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YieldReaction ConditionsOperation in experiment
287 mg With diisobutylaluminium hydride In toluene at -78℃; for 1 h; Inert atmosphere General procedure: (2) Diisobutylaluminum hydride (toluene solution, 1.01 mol/L, 1.95 mL, 1.97 mmol) was added dropwise to a solution of N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide obtained (432 mg, 1.64 mmol) in toluene (11 mL) at -78°C under a nitrogen atmosphere. The mixture was stirred at the same temperature for 1 hr. Methanol (5 mL) was added dropwise to the reaction mixture, the mixture was warmed to room temperature, and 50percent aqueous Rochelle salt solution (10 mL) was added thereto, followed by stirring for 1.5 hr. The mixture was extracted with chloroform and the organic layer was concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography (hexane:ethyl acetate = 9:1 → 7:3) to afford the title compound as a colorless solid (287 mg). 1H NMR (300 MHz, CDCl3) δ ppm 4.86 (q, J = 8.4 Hz, 2 H), 6.97 - 7.02 (m, 1 H), 8.16 (dd, J = 8.6, 2.3 Hz, 1 H), 8.62 - 8.66 (m, 1 H), 10.00 (d, J = 0.6 Hz, 1 H). LCMS retention time: 1.86 min. (Condition 3) MS ESI/APCI Dual posi: 206[M+H]+.
Reference: [1] Patent: EP2687507, 2014, A1, . Location in patent: Paragraph 0379
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Reference: [1] Patent: US2018/237419, 2018, A1,
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Reference: [1] Patent: US2018/237419, 2018, A1,
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