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Chemical Structure| 1386459-84-2 Chemical Structure| 1386459-84-2

Structure of 1386459-84-2

Chemical Structure| 1386459-84-2

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Product Details of [ 1386459-84-2 ]

CAS No. :1386459-84-2
Formula : C7H6BrClFN
M.W : 238.48
SMILES Code : FC1=C(Cl)C=C(Br)C=C1CN
MDL No. :MFCD23163937

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Application In Synthesis of [ 1386459-84-2 ]

* 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 [ 1386459-84-2 ]

[ 1386459-84-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1000577-76-3 ]
  • [ 1386459-84-2 ]
YieldReaction ConditionsOperation in experiment
To a solution of <strong>[1000577-76-3]5-bromo-3-chloro-2-fluorobenzonitrile</strong> (13.2 g, 56.3 mmol) in THF (200 ml_) was added under an argon atmosphere a 1 M solution of boran-tetrahydrofuran-complex (70.4 ml_, 70.4 mmol) dropwise over 30 min. The reaction mixture was then heated at 65C for 1.5 h. After cooling to RT, a 2N HCI solution (70.4 ml_, 141 mmol) was added dropwise over 30 min. The reaction mixture was then again heated at 65C for 1 h and subsequently cooled to RT. Volatiles were evaporated and the residue was taken up in 1 M aqueous HCI solution, followed by extraction with EtOAc (3x150 ml_). The combined organics were washed with 1 M aqueous HCI solution. The combined acid phases were basified to pH=12 by addition of 4M aqueous NaOH solution and then extracted with EtOAc (3x150 ml_). The organics were dried (Na2S04), filtered and evaporated in vacuo to afford the title compound as a yellowish oil. MS (LC/MS): 238.0 [M+H]+; tR (HPLC conditions c): 3.25 min. The material thus obtained was used directly in the next step without further purification
  • 2
  • [ 1280786-80-2 ]
  • [ 1386459-84-2 ]
 

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