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Chemical Structure| 40594-29-4 Chemical Structure| 40594-29-4

Structure of 40594-29-4

Chemical Structure| 40594-29-4

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Product Details of [ 40594-29-4 ]

CAS No. :40594-29-4
Formula : C6H7ClF2N2
M.W : 180.58
SMILES Code : NNC1=CC=C(F)C=C1F.[H]Cl

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Application In Synthesis of [ 40594-29-4 ]

* 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 [ 40594-29-4 ]

[ 40594-29-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1218-69-5 ]
  • [ 40594-29-4 ]
  • [ 201530-46-3 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In ethanol; EXAMPLE 9 3,5-Bis(2-hydroxyphenyl)-1-(2,4-difluorophenyl)-1H-[1,2,4]triazole 5.0 g of <strong>[1218-69-5]2-(2-hydroxyphenyl)benz[e][1,3]oxazin-4-one</strong>, 3.9 g of 2,4-difluorophenylhydrazine hydrochloride and 3 ml of triethylamine are boiled under reflux for 2 h in 25 ml of ethanol. The mixture is cooled, poured onto water and extracted with ethyl acetate. The combined organic phases are dried over sodium sulfate and concentrated on a rotary evaporator. The residue is crystallized from ethanol. After drying, 3,5-bis(2-hydroxyphenyl)-1-(2,4-difluoro-phenyl)-1H-[1,2,4]triazole remains as colorless crystals of m.p. 144-146C.
  • 2
  • [ 29427-48-3 ]
  • [ 40594-29-4 ]
  • [ 1431285-41-4 ]
YieldReaction ConditionsOperation in experiment
7.417 g With sodium acetate; In ethanol; for 18h; Step A: Preparation of l-(2-fluoro-4-methylphenyl)ethanone 2-(2,4- difluorophenyl)hydrazoneTo a solution of <strong>[29427-48-3]2-fluoro-4-methylacetophenone</strong> (4.210 g, 27.70 mmol) in ethanol (200 mL) was added 2,4-difluorophenyl hydrazine HC1 salt (5.0 g, 28 mmol). To this reaction mixture was added sodium acetate (2.044, 24.93 mmol) in one portion. This reaction mixture was stirred for 18 hours, after which time the volatile materials were removed under reduced pressure, and the resulting crude reaction mixture was added to water (100 mL) and extracted with diethyl ether (3 x 200 mL). The organic extracts were combined, dried (MgSC"4), evaporated under reduced pressure, and the solid residue was purified by chromatography on silica gel (ethyl acetate/hexanes) to afford the title compound as a solid (7.417 g). lH NMR (CDCI3) delta 7.49-7.56 (m, 2H), 7.34 (br s, NH) 6.97 (d, 1H), 6.80-6.91 (m, 3H), 2.37 (s, 3H), 2.28 (s, 3H).
 

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