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Chemical Structure| 79247-86-2 Chemical Structure| 79247-86-2

Structure of 79247-86-2

Chemical Structure| 79247-86-2

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Product Details of [ 79247-86-2 ]

CAS No. :79247-86-2
Formula : C7H6F3NO2S
M.W : 225.19
SMILES Code : CCOC(=O)C1=NC(=CS1)C(F)(F)F
MDL No. :MFCD08669898
InChI Key :PSTFYCCCZHOTHW-UHFFFAOYSA-N
Pubchem ID :23560697

Safety of [ 79247-86-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 79247-86-2 ]

* 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.

  • Upstream synthesis route of [ 79247-86-2 ]

[ 79247-86-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 79247-86-2 ]
  • [ 204319-69-7 ]
YieldReaction ConditionsOperation in experiment
1.7 g at 0℃; for 2 h; Sodium tetrahydroborate (840 mg) was added to a solution of ethyl 4- (trifluoromethyl) -1, 3-thiazole-2-carboxylate (2.5 g) in methanol (15 ml) at 0°C, and the mixture was stirred at the same temperature for 2 hr. The reaction mixture was concentrated under reduced pressure, and the residue was diluted with water and extracted with ethyl acetate. The organic layer was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography (NH, hexane/ethyl acetate) to give the title compound (1.7 g) . 1H NMR (400 MHz, DMSO-d6) δ 4.78 (2H, d, J = 5.5 Hz), 6.28 (1H, t, J = 5.6 Hz) , 8.41 (1H, s)
References: [1] Patent: WO2015/5489, 2015, A1, . Location in patent: Paragraph 0298.
[2] Patent: WO2018/188795, 2018, A1, . Location in patent: Page/Page column 51-52.
 

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