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Chemical Structure| 65753-47-1 Chemical Structure| 65753-47-1

Structure of 65753-47-1

Chemical Structure| 65753-47-1

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CAS No.: 65753-47-1

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Product Details of [ 65753-47-1 ]

CAS No. :65753-47-1
Formula : C6H3ClF3N
M.W : 181.54
SMILES Code : FC(F)(F)C1=CC=CN=C1Cl
MDL No. :MFCD00042223
InChI Key :RXATZPCCMYMPME-UHFFFAOYSA-N
Pubchem ID :589833

Safety of [ 65753-47-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301+H311-H314-H372-H412
Precautionary Statements:P260-P264-P270-P273-P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P314-P361+P364-P405-P501
Class:6.1(8)
UN#:2928
Packing Group:Ⅱ

Application In Synthesis of [ 65753-47-1 ]

* 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 [ 65753-47-1 ]

[ 65753-47-1 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 67-56-1 ]
  • [ 65753-47-1 ]
  • [ 121643-44-5 ]
  • 2
  • [ 65753-47-1 ]
  • [ 330793-45-8 ]
  • <i>N</i>-phenyl-4-(3-trifluoromethyl-pyridin-2-yl)-benzamide [ No CAS ]
  • 3
  • [ 67-56-1 ]
  • [ 124-41-4 ]
  • [ 65753-47-1 ]
  • [ 121643-44-5 ]
YieldReaction ConditionsOperation in experiment
for 18h;Heating / reflux; EXAMPLE 2Synthesis of Additional Representative Substituted Biaryl Ouinolin-4-ylamine AnaloguesA. 5-Trifluoromethyl-6-[8-('5-trifluoromethyl-pyridm-2-ylammo)-pyrido[2,3-&lpyrazin-3-yll- nicotinamide (compound 4) 1. 2-Methoxy-3-trifluoromethyl-pyridine Heat a mixture of 2-chloro-3-trifluoromethyl-pyridine (1.8 g, 10 mmol) and sodium methoxide (4M, 5 mL, 20 mmol) in MeOH (20 mL) at reflux for 18 hours. Cool the mixture and remove the volatiles by rotary evaporation. Dissolve the residue in EtOAc (50 mL) and wash with water (50 mL), saturated NaHCO3(aq) (50 mL) and brine (50 mL). Dry the organic extract overMgSO4 and remove the solvent under reduced pressure to yield the title compound.
  • 4
  • [ 80500-28-3 ]
  • [ 65753-47-1 ]
  • [ 76-05-1 ]
  • [ 861102-62-7 ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 4 (a) 2-Nitro-4-(3-trifluoromethyl-pyridin-2-yl)-benzoic acid, trifluoroacetic acid salt.; A mixture of 2-chloro-3-trifluoromethyl-pyridine (181 mg, 1 mmol, TCI America), 4-carboxy-3-nitro-phenyl boronic acid (232 mg, 1.1 mmol), Pd(PPh3)4 (81 mg, 0.07 mmol, Aldrich), CsF (380 mg, 2.5 mmol) and water (2 mL) in dioxane (1.5 mL) was heated in a microwave synthesizer at 140 C. for 15 min. The reaction mixture was diluted with water (1 mL) and 1 N NaOH (1 mL), and extracted with diethyl ether (20 mL). The aqueous layer was separated, acidified with 2 N HCl and extracted with EtOAc (2×20 mL). The combined organic extracts were washed with brine, dried over MgSO4 and filtered. The filtrate was evaporated in vacuo and the residue was purified by preparative HPLC (gradient 0.1% trifluoroacetic acid in acetonitrile) to provide the title compound as a brown amorphous solid. MS (ESI, pos. ion) m/z: 313 (M+1).
  • 5
  • [ 124-41-4 ]
  • [ 65753-47-1 ]
  • [ 121643-44-5 ]
YieldReaction ConditionsOperation in experiment
89% In methanol; at 20℃; for 48h; 2-Chloro-3-trifluoromethyl-pyridine (3 g, 16.53 mmol) was dissolved in 30ml of a solution of sodium methoxide (5.4M) in methanol. The mixture was stirred at ambient temperature for 2 days. After this period of time, the reaction was taken into ice and extracted with DCM three times. The combined extract was washed with brine, dried over magnesium sulfate and concentrated in vacuo to give 2-methoxy-3-trifluoromethyl-pyridine as a light liquid (2.7 g, 89% yield). 1 H-NMR (400 MHz, DMSO-d6, 298 K): ? ppm 3.98 (s, 3H) 7.2 (dd, 1 H) 8.1 1 (d, 1 1-1) 8.45 (d, 1 H). MS: 178.1 [M+1 ]+, Rt(1) =1 .29 min.
89% In methanol; at 20℃; for 48h; 2-Chloro-3-trifluoromethyl-pyridine (3 g, 16.53 mmol) was dissolved in 30ml of a solution of sodium methoxide (5.4M) in methanol. The mixture was stirred at ambient temperature for 2 days. After this period of time, the reaction was taken into ice and extracted with DCM three times. The combined extract was washed with brine, dried over magnesium sulfate and concentrated in vacuo to give 2-methoxy-3-trifluoromethyl-pyridine as a light liquid (2.7 g, 89% yield). 1H-NMR (400 MHz, DMSO-d6, 298 K): delta ppm 3.98 (s, 3H) 7.2 (dd, 1 H) 8.11 (d, 1 H) 8.45 (d, 1 H). MS: 178.1 [M+1 ]+, Rt(1) =1.29 min.
89% With methanol; at 20℃; for 48h; 2-Methoxy-3-trifluoromethyl-pyridine 2-Chloro-3-trifluoromethyl-pyridine (3 g, 16.53 mmol) was dissolved in 30 ml of a solution of sodium methoxide (5.4M) in methanol. The mixture was stirred at ambient temperature for 2 days. After this period of time, the reaction was taken into ice and extracted with DCM three times. The combined extract was washed with brine, dried over magnesium sulfate and concentrated in vacuo to give 2-methoxy-3-trifluoromethyl-pyridine as a light liquid (2.7 g, 89% yield). 1H-NMR (400 MHz, DMSO-d6, 298 K): delta ppm 3.98 (s, 3H) 7.2 (dd, 1H) 8.11 (d, 1H) 8.45 (d, 1H). MS: 178.1 [M+1]+, Rt(1)=1.29 min.
  • 6
  • [ 65753-47-1 ]
  • [ 99368-67-9 ]
 

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