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Chemical Structure| 956125-10-3 Chemical Structure| 956125-10-3

Structure of 956125-10-3

Chemical Structure| 956125-10-3

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Product Details of [ 956125-10-3 ]

CAS No. :956125-10-3
Formula : C11H9BrN2O2
M.W : 281.11
SMILES Code : O=C1NC(C2=CC(Br)=CC=C2OC)=NC=C1

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Application In Synthesis of [ 956125-10-3 ]

* 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 [ 956125-10-3 ]

[ 956125-10-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 144649-99-0 ]
  • [ 623-47-2 ]
  • [ 956125-10-3 ]
YieldReaction ConditionsOperation in experiment
63% <strong>[144649-99-0]5-Bromo-2-methoxy-benzonitrile</strong> (25.00 mmol, 5.73 g) was dissolved in ethanol (35 mL) and treated with ethyl propiolate (28.75 mmol, 2.93 g). The reaction mixture was heated at 60° C. for 30 minutes and then treated with a solution of potassium hydroxide (28.75 mmol, 1.63 g) in ethanol (35 mL). The reaction mixture was then heated at reflux for 3 hours and then allowed to cool to room temperature. The reaction mixture was concentrated under reduced pressure and taken up in water 300 mL. The mixture was adjusted to pH 4 with conc hydrochloric acid and the resultant solid was filtered off and washed with water. The solid was transferred to a round bottom flask, suspended in toluene and evaporated to dryness twice to provide the title compound as an off white solid. Yield=4.4 g, 63percent. Analytical LCMS method 2, retention time 4.28 min, M+H=281. 1H NMR: (CDCl3) delta: 11.0 (br, s, 1H), 8.57 (d, 1H), 8.04 (d, 1H), 7.61 (dd, 1H), 6.95 (d, 1H), 6.37 (d, 1H), 4.04 (s, 3H).
 

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