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Chemical Structure| 75020-42-7 Chemical Structure| 75020-42-7

Structure of 75020-42-7

Chemical Structure| 75020-42-7

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Product Details of [ 75020-42-7 ]

CAS No. :75020-42-7
Formula : C13H14ClN3O3
M.W : 295.72
SMILES Code : O=C(C1=C(Cl)N(CC2=CC=C(OC)C=C2)N=N1)OCC
MDL No. :MFCD26394883

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Application In Synthesis of [ 75020-42-7 ]

* 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 [ 75020-42-7 ]

[ 75020-42-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 827-99-6 ]
  • [ 75020-42-7 ]
  • [ 1607442-66-9 ]
YieldReaction ConditionsOperation in experiment
1.52 g To a solution of <strong>[827-99-6]3-(trifluoromethoxy)phenol</strong> (0.99 g, 5.6 mmol) in A ,N-dimethylformamide (10 mL) was added sodium hydride (0.23 g, 5.8 mmol, 60percent dispersion in oil). The mixture was stirred at 23 °C for 45 min. then ethyl 5-chloro-l-[(4- methoxyphenyl)methyl]-lH-l,2,3-triazole-4-carboxylate (i.e. the product of Step C, 1.50 g, 5.1 mmol) was added. The reaction mixture was heated to 75 °C for 90 h. Additional sodium hydride (0.06 g, 1.5 mmol) and <strong>[827-99-6]3-(trifluoromethoxy)phenol</strong> (0.25 g, 1.4 mmol) were added and the mixture was stirred at 75 °C for 45 h. The reaction mixture was concentrated to dryness under reduced pressure. The resulting residue was taken up in ethyl acetate (50 mL) and washed successively with water (2 x 50 mL) and saturated aqueous sodium chloride solution (50 mL). The organic layer was dried (MgS04) and concentrated under reduced pressure to afford the crude product. The crude material was purified by chromatography on silica gel eluting with 0 to 60percent ethyl acetate in hexanes to obtain the title compound (1.52 g) as a yellow oil. in NMR delta 1.07-1.11 (m, 3H), 3.74 (s, 3H), 4.15-4.21 (m, 2H), 5.38 (s, 2H), 6.60-6.65 (m, 2H), 6.73-6.78 (m, 2H), 6.94-6.99 (m, 1H), 7.15-7.20 (m, 2H), 7.22-7.26 (m, 1H).
 

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