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Chemical Structure| 195053-89-5 Chemical Structure| 195053-89-5

Structure of 195053-89-5

Chemical Structure| 195053-89-5

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Product Details of [ 195053-89-5 ]

CAS No. :195053-89-5
Formula : C25H25N3
M.W : 367.49
SMILES Code : NCCCC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
MDL No. :MFCD07784152

Safety of [ 195053-89-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:3259
Packing Group:

Application In Synthesis of [ 195053-89-5 ]

* 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 [ 195053-89-5 ]

[ 195053-89-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 3471-31-6 ]
  • [ 195053-89-5 ]
  • 2-(5-methoxy-1H-indol-3-yl)-N-(3-(1-trityl-1H-imidazol-4-yl)propyl)acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
88% To a solution of <strong>[3471-31-6]2-<strong>[3471-31-6](5-methoxy-1H-indol-3-yl)acetic acid</strong></strong> (A) (2.00 g, 4.87 mmol) in DMF (40 mL) was added EDC?HCl (1.40 g, 7.31 mmol) and HOBt?H2O (933 mg, 6.09 mmol). The resulting mixture was stirred at RT for 45 min and treated with compound 7 (1.79 g, 4.87 mmol). The?pH? of the solution was adjusted ~9 by the addition of TEA (~1.35 mL) and the reaction was stirred at RT for 16 hours. After this time water (200 mL) was added and the resulting precipitate was collected by filtration and dried by azeotropic distillation with toluene to afford 2.38 g (88percent yield) of compound B as a white solid: 1H NMR (400 MHz, DMSO-d6): delta 10.64 (bs, 1H), 7.85 (t, J = 5.50 Hz, 1H), 7.38? 7.30 (m, 9H), 7.18 (s, 1H), 7.15 (d, J = 8.70 Hz, 1H), 7.07? 6.98 (m, 8H), 6.63 (dd, J = 8.60, 2.80 Hz, 1H), 6.52 (s, 1H), 3.63 (s, 3H), 3.38 (s, 2H), 3.00 (q J = 6.00 Hz, 2H), 2.36 (t, J = 7.30 Hz, 2H), 1.59 (quint. J = 7.30 Hz, 2H). 13C NMR (100 MHz, DMSO-d6): delta 171.01, 153.46, 142.90, 141.17, 138.14.131.75, 129.71, 128.70, 128.45, 128.00, 124.91, 118.02, 112.44, 111.59, 109.29, 100.96, 74.83, 55.75, 38.76, 33.42, 29.53, 25.83. LCMS (50-95percent acetonitrile in 0.05percent TFA over 10 minutes) retention time = 3.87 min, ESI m/z = 555, [M+H]+.
 

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