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Chemical Structure| 91131-79-2 Chemical Structure| 91131-79-2

Structure of 91131-79-2

Chemical Structure| 91131-79-2

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Product Details of [ 91131-79-2 ]

CAS No. :91131-79-2
Formula : C11H13N
M.W : 159.23
SMILES Code : N#CC1=CC=C(CC(C)C)C=C1

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Application In Synthesis of [ 91131-79-2 ]

* 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 [ 91131-79-2 ]

[ 91131-79-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 557-21-1 ]
  • [ 2051-99-2 ]
  • [ 91131-79-2 ]
YieldReaction ConditionsOperation in experiment
81% With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane;tris-(dibenzylideneacetone)dipalladium(0); In water; N,N-dimethyl-formamide; at 120℃; for 1h;Inert atmosphere; A mixture of 5.0 g (23.5 mmol) of <strong>[2051-99-2]1-bromo-4-isobutylbenzene</strong>, 3.14 g (26.7 mmol) of zinc cyanide, 963 mg (2.35 mmol) of dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)phosphane and 1.08 g (1.17 mmol) of tris(dibenzylidene-acetone)dipalladium in 230 ml of DMF/water (99:1) was heated at 120 C. under inert, oxygen-free conditions for 1 h. After cooling to RT, the mixture was diluted with approx. 1,000 ml of water and extracted three times with approx. 150 ml of ethyl acetate each time. The combined organic extracts were washed successively with water and saturated sodium chloride solution. After drying over anhydrous magnesium sulphate, the mixture was filtered and the filtrate was freed from the solvent on a rotary evaporator. The residue obtained was purified by means of filtration with suction over silica gel with cyclohexane/ethyl acetate 10:1 as the mobile phase. 3.04 g (81% of th.) of the title compound were obtained.1H-NMR (400 MHz, CDCl3, delta/ppm): 7.56 (d, 2H), 7.23 (d, 2H), 2.53 (d, 2H), 1.94-1.83 (m, 1H), 0.90 (d, 6H).GC/MS (method K, EIpos): Rt=4.05 min, m/z=159 [M]+.
 

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