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Chemical Structure| 877131-96-9 Chemical Structure| 877131-96-9

Structure of 877131-96-9

Chemical Structure| 877131-96-9

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Product Details of [ 877131-96-9 ]

CAS No. :877131-96-9
Formula : C11H7BrF3N
M.W : 290.08
SMILES Code : N#CC1(C2=CC=C(Br)C=C2C(F)(F)F)CC1

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Application In Synthesis of [ 877131-96-9 ]

* 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 [ 877131-96-9 ]

[ 877131-96-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 877131-92-5 ]
  • [ 107-04-0 ]
  • [ 877131-96-9 ]
YieldReaction ConditionsOperation in experiment
86% To a stirred solution of <strong>[877131-92-5](4-bromo-2-trifluoromethyl-phenyl)-acetonitrile</strong> (3.33 g, 12.61 mmol) from step 2 of example A(141), benzyltriethylammoniym chloride (0.057 g, 0.25 mmol) and 1-bromo-2-chloroethane (1.57 g, 10.94 mmol), was added dropwise a solution of NaOH 40% ( 3 ml_). The reaction mixture was stirred 6 hours at 50 C. After this time the reaction was quenched with 1 N HCI (30 ml) and extracted with EtOAC (3 x 30 ml_). The organic phase was dried over Na2SO4 and evaporated. The crude organic product was purified by flash column chromatography (10% EtOAc in hexanes) to give the product (3.1 g, 86%) as a clear oil. 1H NMR (400 MHz, CDCI3) 6 1.4-1.44 (m, 2H), 1.76-1.80 (m, 2H), 7.44 (d, J=8.3 Hz, 1 H), 7.69 (dd,J=8.3, 2 Hz, 1 H), 7.84 (d, J=2 Hz, 1 H).
 

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