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Chemical Structure| 51586-24-4 Chemical Structure| 51586-24-4

Structure of 51586-24-4

Chemical Structure| 51586-24-4

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Product Details of [ 51586-24-4 ]

CAS No. :51586-24-4
Formula : C8H8F3N
M.W : 175.15
SMILES Code : NC(C1=CC=CC=C1)C(F)(F)F
MDL No. :MFCD01166245

Safety of [ 51586-24-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H319
Precautionary Statements:P305+P351+P338

Application In Synthesis of [ 51586-24-4 ]

* 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 [ 51586-24-4 ]

[ 51586-24-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 885521-46-0 ]
  • [ 51586-24-4 ]
  • [ 543-27-1 ]
  • [ 1430473-63-4 ]
YieldReaction ConditionsOperation in experiment
44% -iodo-lH-indazole-5-carboxylic acid (1.73 g, 6.00 mmol), isobutyl chloroformate (1.57 mL, 12.0 mmol), DIPEA (2.09 mL, 1.80 mmol), and DMF (20 mL) were combined and cooled to 0 C. The reaction was stirred at 0 C for 10 min at which point 2,2,2-trifluoro-l-phenylethanamine (1.27 mg, 6.00 mmol) was added. The mixture was warmed to rt and stirred for 1.5 h, The crude reaction was subsequently diluted with EtOAc and washed with aq NaHC03 and brine. The mixture was dried over MgS04 and the solvent was removed under reduced pressure to give the title compound as a beige solid (1.45 g, 44%). The product was used without further purification. MS ESI 546.1 [M + H]+, calcd for [C21H19F3I 303 + H]+ 546.0
  • 2
  • [ 51586-24-4 ]
  • [ 56844-12-3 ]
  • [ 1580541-98-5 ]
YieldReaction ConditionsOperation in experiment
60% In butan-1-ol; at 145℃; for 20h; General procedure: Compound 1 (1.00 g, 4.01 mmol) was mixed with the benzylamine (12.03 mmol) and 1-butanol (3.5 mL) and agitated at 145 C for 18-24 h. Then the mixture was cooled to rt, diluted with water (50 mL) and diethyl ether (150 mL) or EtOAc (150 mL). After phase separation, the water phase was extracted with more diethyl ether (2 × 50 mL) or EtOAc (2 × 50 mL). The combined organic phases were washed with saturated aq NaCl solution (50 mL), dried over anhydrous Na2SO4, filtered and concentrated in vacuo, before the crude oil was dried under reduced pressure to constant weight to remove excess benzylamine. The compounds were purified by silica-gel column chromatography or crystallized as specified for each individual compound
 

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