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Chemical Structure| 51802-55-2 Chemical Structure| 51802-55-2

Structure of 51802-55-2

Chemical Structure| 51802-55-2

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Product Details of [ 51802-55-2 ]

CAS No. :51802-55-2
Formula : C9H8N4
M.W : 172.19
SMILES Code : N#CC1=C(C#N)N=C(C)CC(C)=N1

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Application In Synthesis of [ 51802-55-2 ]

* 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 [ 51802-55-2 ]

[ 51802-55-2 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 33985-71-6 ]
  • [ 51802-55-2 ]
  • 2,3-dicyano-5-methyl-7-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine [ No CAS ]
  • 2
  • [ 33985-71-6 ]
  • [ 51802-55-2 ]
  • 2,3-dicyano-5,7-bis[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine [ No CAS ]
  • 3
  • [ 14615-72-6 ]
  • [ 51802-55-2 ]
  • 5,7-bis[(E)-2-(3,5-dibenzyloxyphenyl)ethenyl]-6H-1,4-diazepine-2,3-dicarbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
24% With piperidine; In benzene; for 24h;Reflux; Inert atmosphere; Diazepine derivative 3 (0.054 g, 0.31 mmol), <strong>[14615-72-6]3,5-dibenzyloxybenzaldehyde</strong> 6 (0.25 g, 0.78 mmol), piperidine (4 drops) and benzene (10 mL) were refluxed for 24 h. After the solvent had been evaporated, the dry residue was chromatographed (dichloromethane:n-hexane, 1:1 to 5:1). Crystallization from n-hexane - dichloromethane (1:1) led to a yellow solid 9 (0.059 g,24% yield). M.p. 140 C dec. Rf (dichloromethane) 0.65. UV-Vis(dichloromethane): lambdamax, nm (log epsilon) 319 (4.82), 396 (4.63). 1H NMR(799.926 MHz, DMSO-d6); deltaH, ppm 8.02 (d, 2H, 3J 16 Hz, C5(7)-CH]CH), 7.38 (d, 8H, 3J 7 Hz, C200, C600, ArH), 7.34 (t, 8H, 3J 7 Hz,C300, C500, ArH), 7.30 (t, 4H, 3J 7 Hz, C400, ArH), 7.20 (d, 2H,3J 16 Hz, C5(7)-CH]CH), 7.12 (d, 4H, 4J 2 Hz, C20, C60, ArH), 6.74(t, 2H, 4J 2 Hz, C40, ArH), 5.34 (s, 1H, N]C-CHeq), 5.09 (s, 8H,OCH2), 2.07 (s, 1H, N]C-CHax). 13C NMR (201.162 MHz, DMSO-d6):deltaC, ppm 159.8 (C30, C50 , ArC), 151.5 (C]N), 144.7 (C5(7)-CH]CH),136.6 (C100, ArC), 136.7 (C10, ArC), 128.4 (C300, C500, ArC), 127.8 (C400,ArC), 127.6 (C200, C600, ArC), 125.0 (C5(7)-CH]CH), 122.6 (C?N),115.8 (CeC?N), 107.4 (C20, C60, ArC), 104.9 (C40, ArC), 69.4 (OCH2),38.1 (C6). MS (ES pos) m/z 773 [M-H], 795 [M-Na]. HRMS (ES)m/z [M-H] 773.3101, calcd for C51H41N4O4 773.3128. Anal. calcd for C51H40N4O4: C, 79.25; H, 5.22; N, 7.25. Found: C, 78.79; H, 5.16;N, 7.43.
 

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