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Chemical Structure| 3756-32-9 Chemical Structure| 3756-32-9

Structure of 3756-32-9

Chemical Structure| 3756-32-9

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Product Details of [ 3756-32-9 ]

CAS No. :3756-32-9
Formula : C10H13Br
M.W : 213.11
SMILES Code : CC(C1=CC=CC=C1)(C)CBr
MDL No. :MFCD11936754

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Application In Synthesis of [ 3756-32-9 ]

* 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 [ 3756-32-9 ]

[ 3756-32-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 742103-27-1 ]
  • [ 1128-56-9 ]
  • n-allylpalladium chloride [ No CAS ]
  • [ 3756-32-9 ]
  • [ 1006707-95-4 ]
YieldReaction ConditionsOperation in experiment
In 5,5-dimethyl-1,3-cyclohexadiene; Example 6 Preparation of N-(1-phenylpyrazole-3-yl)-4-t-butylaniline A mixture of <strong>[1128-56-9]3-amino-1-phenylpyrazole</strong> (700 mg), 4-bromo-t-butylbenzene (1.02 g), sodium t-butoxide (465 mg), n-allylpalladium chloride (32.2 mg), di-t-butyl-(2,2-diphenyl-1-methylcyclopropyl) phosphine (124 mg) and xylene (20 mL) was stirred under a nitrogen atmosphere at 95 C. for 3 hours. The reaction solution was allowed to cool to room temperature. Then aqueous ammonium chloride-saturated solution was added thereto and the mixture was extracted with toluene. The organic phases obtained were combined and concentrated, and the residue obtained was purified by silica gel column chromatography to give N-(1-phenylpyrazole-3-yl)-4-t-butylaniline as a viscous oil (780 mg). 1H-NMR (CDCl3) delta: 1.27 (s, 9H), 6.11 (br, 1H), 6.17 (d, J=1.6 Hz, 1H), 7.16-7.66 (m, 9H), 7.80 (d, J=1.6 Hz, 1H).
  • 2
  • [ 742103-27-1 ]
  • [ 1128-56-9 ]
  • bis(π-allylpalladium chloride) [ No CAS ]
  • [ 1006707-92-1 ]
  • [ 3756-32-9 ]
  • [ 1006707-97-6 ]
YieldReaction ConditionsOperation in experiment
In 5,5-dimethyl-1,3-cyclohexadiene; Example 9 Preparation of N-(1-phenylpyrazole-3-yl)-N-(1-phenyl-1H-indazole-3-yl)-4-t-butylaniline A mixture of <strong>[1128-56-9]3-amino-1-phenylpyrazole</strong> (435 mg), 3-chloro-1-phenyl-1H-indazole (750 mg), sodium t-butoxide (630 mg), ?-allylpalladium chloride (45.0 mg), di-t-butyl-(2,2-diphenyl-1-methylcyclopropyl)phosphine (173 mg) and xylene (25 mL) was stirred under a nitrogen atmosphere at 95 C. for 3 hours. Then, 4-bromo-t-butylbenzene (582 mg) was added to the reaction mixture, further stirring at 95 C. for overnight. The reaction solution was allowed to cool to room temperature. Then aqueous ammonium chloride-saturated solution was added thereto and the mixture was extracted with toluene. The organic phases obtained were combined and concentrated, and the residue obtained was purified by silica gel column chromatography to give N-(1-phenylpyrazole-3-yl)-N-(1-phenyl-1H-indazole-3-yl)-4-t-butylaniline as a viscous oil (859 mg). 1H-NMR (CDCl3) delta: 1.35 (s, 9H), 6.33 (d, J=1.6 Hz, 1H), 6.97-7.09 (m, 2H), 7.25-7.40 (m, 9H), 7.49 (t, J=5.4 Hz, 2H), 7.57-7.61 (m, 2H), 7.71-7.76 (m, 3H), 7.86 (d, J=1.6 Hz, 1H).
 

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