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Chemical Structure| 13551-83-2 Chemical Structure| 13551-83-2

Structure of 13551-83-2

Chemical Structure| 13551-83-2

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Product Details of [ 13551-83-2 ]

CAS No. :13551-83-2
Formula : C9H10N4O
M.W : 190.20
SMILES Code : O=C(N1C=CN=C1C)N2C=CN=C2C
MDL No. :MFCD00013344

Safety of [ 13551-83-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 13551-83-2 ]

* 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 [ 13551-83-2 ]

[ 13551-83-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 13551-83-2 ]
  • [ 851983-85-2 ]
  • [ 1441047-12-6 ]
YieldReaction ConditionsOperation in experiment
67% In dichloromethane; acetonitrile;Reflux; [00169] 3 ?-(2-Methyl-lH-imidazole-l-carboxylate)-17-(lH-benzimidazol-l-yl)- androsta-5,16-diene (48): A solution of 5 (0.075 g, 0.193 mmol), l,l-carbonylbis(2- methylimidazole) (0.05 g, 0.214 mmol) in anhydrous acetonitrile (1.5 mL) and DCM (0.75 mL) was refluxed over-night. The solvent evaporated, residue treated with water, and extracted with DCM. The crude white product obtained on evaporation of solvent was purified by FCC using 4 percent ethanol in DCM in presence of traces of TEA (0.06percent). The product was triturated with petroleum ether to give 48 (0.065 g, 67percent ): mp 186-187 °C; IR (Neat) 2935, 2855, 1749, 1452, 1394, 1291, 1146, 983 cm"1; 1H NMR (500 MHz, CDC13) delta 1.03 (s, 3 H, 18-CH3), 1.12 (s, 3 H, 19-CH3), 2.64 (s, 3 H, 2"-CH3), 4.80 (m, 1 H, 3a-H), 5.51 (m, 1 H, 6-H), 5.99 (m, 1 H, 16-H), 6.84 (s, 1 H, 5"-H), 7.29 (m, 2 H, aromatic-Hs), 7.35 (s, 1 H, aromatic-H), 7.48 (m, H, aromatic- H) 7.81 (m, 1 H, 4"-H), and 7.96 (s, 1 H, 2'- H); 13C NMR (500 MHz, CDC13) delta 149.0, 147.9, 147.1, 143. 3, 141.6, 139.2, 134.6, 127.8, 123.4, 122.5, 120.2, 118.1, 111.1, 78.0, 55.7, 50.3, 47.2, 38.0, 36.8, 34.8, 31.1, 30.3, 27.7, 20.6, 19.3, 16.9, 16.0. HRMS calcd 519.2730 (C3iH3602N4.Na+), found 519.2730.
 

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