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Chemical Structure| 57688-34-3 Chemical Structure| 57688-34-3

Structure of 57688-34-3

Chemical Structure| 57688-34-3

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Product Details of [ 57688-34-3 ]

CAS No. :57688-34-3
Formula : C13H10F3N
M.W : 237.22
SMILES Code : NC1=CC=C(C2=CC=C(C(F)(F)F)C=C2)C=C1
MDL No. :MFCD03424687
InChI Key :PDKIAMYXBRKPBW-UHFFFAOYSA-N
Pubchem ID :2782709

Safety of [ 57688-34-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 57688-34-3 ]

* 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 [ 57688-34-3 ]

[ 57688-34-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 10165-86-3 ]
  • [ 57688-34-3 ]
  • C21H15F3N2O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% In tetrahydrofuran; at 90℃;Molecular sieve; Step A:methyl 6-(3-methyl-1-(4'-(trifluoromethyl)biphenyl-4-ylamino)butyl)nicotinateTo a solution of methyl 6-formylnicotinate (0.200 g, 1.21 mmol) in tetrahydrofuran (8 mL) containing activated molecular sieves was added 4'-(trifluoromethyl)biphenyl-4-amine (316 mg, 1.33 mmol).The reaction was heated to 90° C. and stirred overnight.The reaction was concentrated to dryness and the residue was dissolved in tetrahydrofuran (8 mL).The solution was cooled to 0° C. Zinc chloride (3.52 mL, 1M in diethyl ether, 3.52 mmol) was added, followed by isobutylmagnesium bromide (1.47 mL, 2.0M in THF, 3.52 mmol).The reaction was stirred at 0° C. for 2 hours.The reaction was quenched with saturated ammonium chloride.The mixture was diluted with dichloromethane and water.The layers were separated and the aqueous was extracted again with dichloromethane.The combined organic layers were dried over sodium sulfate, filtered and concentrated.Purification by column chromatography gave methyl 6-(3-methyl-1-(4'-(trifluoromethyl)biphenyl-4-ylamino)butyl)nicotinate (210 mg, 39percent) as a yellow oil. 1H NMR (400 MHz, CD3OD, delta): 9.09 (s, 1H), 8.31 (d, 1H), 7.72-7.57 (m, 5H), 7.41 (d, 2H), 6.65 (d, 2H), 4.61-4.52 (m, 1H), 3.94 (s, 3H), 1.92-1.73 (m, 2H), 1.1.72-1.61 (m, 1H), 1.05 (d, 3H), 0.91 (d, 3H).
 

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