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Chemical Structure| 87951-12-0 Chemical Structure| 87951-12-0

Structure of 87951-12-0

Chemical Structure| 87951-12-0

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Product Details of [ 87951-12-0 ]

CAS No. :87951-12-0
Formula : C8H12N2O2
M.W : 168.19
SMILES Code : O=C(OCC)/C([N+]#[C-])=C/N(C)C

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Application In Synthesis of [ 87951-12-0 ]

* 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 [ 87951-12-0 ]

[ 87951-12-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 233764-32-4 ]
  • [ 87951-12-0 ]
  • ethyl 1-(4-hydroxy-4-methylcyclohexyl)-1H-imidazole-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
462 mg at 75℃; for 8h; This crude product and ethyl 3-(dimethylamino)-2-isocyanoacrylate (450 mg) were mixed and stirred at 75C for 8 hours. To the reaction solution, saturated aqueous ammonium chloride was added, and organic matter was extracted with ethyl acetate. The organic layer was dried over anhydrous sodium sulfate and filtered, and the solvent was distilled off under reduced pressure. The residue was purified by silica gel column chromatography (eluting solvent: hexane/ethyl acetate=1/1-ethyl acetate) to obtain a diastereomeric mixture of the title compound (462 mg, trans:cis=1:3). 1H-NMR (CDCl3) δ: 1.31 (2.25H, s), 1.34 (0.75H, s), 1.38 (3H, t, J = 7.0 Hz), 1.52-1.70 (2H, m), 1.77-1.96 (4H, m), 2.08-2.19 (2H, m), 3.93 (0.75H, tt, J = 12.2, 3.9 Hz), 4.06 (0.25H, m), 4.12 (0.5H, q, J = 7.0 Hz), 4.36 (1.5H, q, J = 7.0Hz), 7.57 (1H, s), 7.68 (0.25H, s), 7.70 (0.75H, s).
 

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