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Chemical Structure| 865444-77-5 Chemical Structure| 865444-77-5

Structure of 865444-77-5

Chemical Structure| 865444-77-5

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Product Details of [ 865444-77-5 ]

CAS No. :865444-77-5
Formula : C7H11N3O2
M.W : 169.18
SMILES Code : O=C(C1=C(C)N=CN1N)OCC
MDL No. :MFCD08166521

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Application In Synthesis of [ 865444-77-5 ]

* 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 [ 865444-77-5 ]

[ 865444-77-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 865444-77-5 ]
  • [ 42926-52-3 ]
  • 3-(2-ethoxy-benzoylamino)-5-methyl-3<i>H</i>-imidazole-4-carboxylic acid ethyl ester [ No CAS ]
  • 2
  • [ 865444-77-5 ]
  • [ 42926-52-3 ]
  • 2-(2-ethoxy-phenyl)-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
13% To a solution of ethyl 3-amino-5-methyl-3H-imidazole-4-carboxylate (100 mg, 0.591 mmol) in anhydrous pyridine (2 mL) <strong>[42926-52-3]2-ethoxy-benzoyl chloride</strong> (130 mg, 0.709 mmol) was added. The reaction mixture was stirred under nitrogen for 2 h at 100 C. before it was transferred into a sealed tube. After addition of concentrated ammonium hydroxide (5 mL) the mixture was stirred at 110 C. for 24 h. To the cooled reaction mixture ethyl acetate was added and the organic layer was extracted with water, brine and dried over MgSO4. After the solvent was removed in vacuo the crude product was purified by flash chromatography on silica gel eluting with 0% increasing to 5% methanol in dichloromethane. The product was obtained as a white solid (20 mg, 13%). 1H NMR (300 MHz, CDCl3): delta 9.97 (sbr, 1H), 8.08 (dd, 3J=8.0 Hz, 4J=1.8 Hz, 1H), 7.99 (s, 1H), 7.43 (t, J=7.8 Hz, 1H), 7.05 (t, J=7.8 Hz, 1H), 6.97 (d, J=8.0 Hz, 1H), 4.19 (q, J=6.9 Hz, 2H), 2.58 (s, 3H), 1.49 (t, J=6.9 Hz, 3H). 13C NMR (75 MHz, CDCl3): delta 157.4, 154.9, 147.5, 141.4, 133.8, 133.5, 130.4, 122.2, 117.4, 113.5, 65.7, 15.1, 15.0. MS, m/z (%) 271.1 (100) [M++1] Anal. Calcd for C14H14N4O2 (270.29): C, 62.21; H, 5.22; N, 20.73. Found: C, 62.03; H, 4.99; N, 20.47.
 

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