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Chemical Structure| 947685-08-7 Chemical Structure| 947685-08-7

Structure of 947685-08-7

Chemical Structure| 947685-08-7

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Product Details of [ 947685-08-7 ]

CAS No. :947685-08-7
Formula : C13H15BrN2
M.W : 279.18
SMILES Code : CC1=NN(C2CCCC2)C3=C1C=CC(Br)=C3
MDL No. :MFCD27993504

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Application In Synthesis of [ 947685-08-7 ]

* 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 [ 947685-08-7 ]

[ 947685-08-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 137-43-9 ]
  • [ 7746-27-2 ]
  • [ 947685-08-7 ]
YieldReaction ConditionsOperation in experiment
54% The indazole (2.32 g, 11 mmol) was then dissolved in anhydrous DMF (50 mL) and treated with a 60% dispersion of sodium hydride in mineral oil (420 mg, 10.5 mmol). After 30 min of stirring, cyclopentyl bromide (1.53 mL, 14.3 mmol) was added and the reaction stirred for 24 h. The reaction mixture was quenched by pouring onto water (500 mL) which was neutralized with a small portion of a 1 N aqueous HCl solution and extracted with EtOAc (2*200 mL, then 100 mL). The combined organic extracts were dried over MgSO4, filtered, and evaporated to an oil, which was purified by silica gel flash chromatography with 25% then 80% EtOAc/hexanes as eluant to afford product as a clear yellow tinted oil (1.65 g, 54%). 1H NMR (CDCl3) 1.68-1.78 (m, 2H), 1.93-2.01 (m, 2H), 2.08-2.16 (m, 4H), 2.54 (s, 3H), 4.77-4.87 (m, 1H), 7.18 (dd, J=8.4, 1.5, 1H), 7.32 (dd, J=8.4, 0.7, 1H), 7.55 (d, J=1.5, 1H). 13C NMR 12.1 (CH3), 24.7 (CH2), 32.2 (CH2), 59.5 (CH), 112.2 (CH), 120.5, 121.8 (CH), 122.5, 123.2 (CH), 141.1, 141.4. LC/MS 7.71 min, [M+1]+ 281.
 

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