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Chemical Structure| 1217862-66-2 Chemical Structure| 1217862-66-2

Structure of 1217862-66-2

Chemical Structure| 1217862-66-2

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Product Details of [ 1217862-66-2 ]

CAS No. :1217862-66-2
Formula : C8H9N3O2
M.W : 179.18
SMILES Code : O=C(C1=CC=NN1CC#N)OCC
MDL No. :MFCD15146497

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Application In Synthesis of [ 1217862-66-2 ]

* 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.

  • Downstream synthetic route of [ 1217862-66-2 ]

[ 1217862-66-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5932-27-4 ]
  • [ 107-14-2 ]
  • [ 1217862-66-2 ]
  • ethyl 1-(cyanomethyl)-1H-pyrazole-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
51%; 39% With caesium carbonate; In N,N-dimethyl-formamide; at 25℃; for 16h;Inert atmosphere; To a suspension of Cs2CO3 (2100 g, 6.44 mol) in DMF (12 L) was added <strong>[5932-27-4]ethyl 1H-pyrazole-3-carboxylate</strong> (750 g, 5.36 mol), followed by 2-chloroacetonitrile (450 g,5.96 mol) and the mixture was stirred at about 25° C. for about 16 hrs. The reaction was poured into water (12 L) and extracted with EtOAc (5x5 L). The combined EtOAc extracts were washed with brine (2x5 L), dried (Na2SO4) and concentrated to afford a residue which was purified by chromatography to afford ethyl 1-(cyanomethyl)-1H-pyra- zole-3-carboxylate (398 g, 39percent) as a yellow oil and ethyl 1 -(cyanomethyl)- 1 H-pyrazole-5-carboxylate (680 g). The ethyl 1 -(cyanomethyl)- 1 H-pyrazole-5-carboxylate was dissolved in MTI3E (15 L) and washed with brine (3x5 L), dried (Na2SO4) and concentrated to afford the compound as a yellow oil (489 g, 5 1percent). ?H NMR (400 MHz, CDCl3) delta: 7.49 (s, 1H), 6.82 (s, 1H), 5.45 (s, 2H), 4.29 (q, 2H), 1.29 (t, 3H)10138] LCMS mlz=180.1 [M+H]+
 

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