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Chemical Structure| 1089212-43-0 Chemical Structure| 1089212-43-0

Structure of 1089212-43-0

Chemical Structure| 1089212-43-0

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Product Details of [ 1089212-43-0 ]

CAS No. :1089212-43-0
Formula : C4H3ClF2N2
M.W : 152.53
SMILES Code : FC(C1=NNC=C1)(Cl)F
MDL No. :MFCD31918071

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Application In Synthesis of [ 1089212-43-0 ]

* 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 [ 1089212-43-0 ]

[ 1089212-43-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 119352-49-7 ]
  • [ 1089212-43-0 ]
  • [ 5932-27-4 ]
YieldReaction ConditionsOperation in experiment
~ 65%; ~ 35% With hydrazine hydrate; In ethanol; 8. Preparation of 3-difluorochloromethyl-NH-pyrazole from 4-butoxy-1-chloro-1,1-difluorobut-3-en-2-oneOver a period of 10 minutes, hydrazine hydrate (80percent pure, 0.52 g, 0.008 mol) was added dropwise to a solution of 4-butoxy-1-chloro-1,1-difluorobut-3-en-2-one (1.2 g, 0.005 mol) in ethanol (6 ml). The mixture was then stirred under reflux conditions for 5 h. The resulting yellow-brown suspension was concentrated on a rotary evaporator. The residue was taken up in ethyl acetate (20 ml) and water (20 ml). After separation of the phases, the aqueous phase was re-extracted with ethyl acetate (20 ml). The organic phases were combined, dried over MgSO4 and filtered, and volatile components were removed under reduced pressure. The light-red oily residue (0.35 g) consisted to about 65percent of 3-difluorochloromethyl-NH-pyrazole and to 35percent of ethyl pyrazole-3-carboxylate.3-Difluorochloromethyl-NH-pyrazole: EI-MS [m/z]: 152 [M]+; 1H-NMR (500 MHz, CDCl3): delta=6.68 (s, 1H), 7.9 (s, 1H), 11.5-13.5 ppm (s, broad, NH); 13C-NMR (125 MHz, CDCl3): delta=103.61, 124.76, 131.18, 147.91 ppm.Ethyl pyrazole-3-carboxylate: EI-MS [m/z]: 140 [M]+; 1H-NMR (500 MHz, CDCl3): delta=1.38 (t, 3H), 4.32 (q, 2H), 6.8 (s, 1H), 7.8 (s, 1H), 11.5-13.5 ppm (s, broad, NH);13C-NMR (125 MHz, CDCl3): delta=14.24, 60.2, 107.80, 132.30, 141.00, 161.60 ppm.
 

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