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Chemical Structure| 886370-80-5 Chemical Structure| 886370-80-5

Structure of 886370-80-5

Chemical Structure| 886370-80-5

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Product Details of [ 886370-80-5 ]

CAS No. :886370-80-5
Formula : C8H4F3IO
M.W : 300.02
SMILES Code : O=C(C1=CC=CC=C1I)C(F)(F)F

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Application In Synthesis of [ 886370-80-5 ]

* 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 [ 886370-80-5 ]

[ 886370-80-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 886370-80-5 ]
  • [ 57631-05-7 ]
YieldReaction ConditionsOperation in experiment
With hydrazine; In ethanol; at 20℃; Description 17: 3-(trifluoromethyl)-1H-indazole (D17); A mixture of methyl-2-iodobenzoate (524mg, 2mmol), (trifluoromethyl) trimethylsilane (2mmol, 0.3ml) and oven dried cesium fluoride (2mg) was stirred at room temperature for 1 hour. The reaction mixture was then treated with 5N hydrochloric acid (0.5ml) and left to stir at room temperature for 18 hours. The reaction mixture was then dissolved in ethylene glycol dimethyl ether and stirred at 2O0C for 1 hour, then at 8O0C in a microwave reactor for 20 minutes and finally at 12O0C in a microwave reactor for 1 hour. The organic layer was separated from the reaction mixture and dried over sodium sulphate. The solvent was removed by rotary evaporation to give a yellow liquid (446mg) which was dissolved in ethanol (3ml) and treated with hydrazine hydrate (100mg, 2mmol, 0.1 ml). The mixture was stirred at room temperature overnight. The ethanol was removed by rotary evaporation and the residue partitioned between dichloromethane (5ml) and water (5ml). <n="39"/>The organic layer was added directly to a 5g isolute silica Sep-Pak column and eluted from 0-20% ethyl acetate in petroleum ether to give the title compound as a colourless oil (150mg, 40%).1 H-NMR (400MHz, CDCI3) delta: 10.47 (1 H, br s), 7.89 (1 H, m), 7.59 (1 H, m), 7.51 (1 H, m), 7.33 (1 H, m); LC/MS Retention time 2.72mins/(ES+) 185 (M-H, C8H5F3N2 requires 186).
 

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