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Chemical Structure| 927676-49-1 Chemical Structure| 927676-49-1

Structure of 927676-49-1

Chemical Structure| 927676-49-1

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Product Details of [ 927676-49-1 ]

CAS No. :927676-49-1
Formula : C9H6Cl2N2O
M.W : 229.06
SMILES Code : CC(NC1=C(Cl)C=C(C#N)C=C1Cl)=O
MDL No. :MFCD08445469

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Application In Synthesis of [ 927676-49-1 ]

* 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 [ 927676-49-1 ]

[ 927676-49-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 78473-00-4 ]
  • [ 75-36-5 ]
  • [ 927676-49-1 ]
YieldReaction ConditionsOperation in experiment
Step B (1): To a solution of 3,5-dichloro-4-amino-benzonitrile (187 mg, 1 mmol) in 4 mL of THF at room temperature was added 2.2 mL of 1.0 M NaHMDS in THF. The resulting reaction mixture was stirred at room temperature for 30 min, at which time acetyl chloride (3.1 mmol) was added. DCM (100 mL) and water (100 mL) were added to the reaction mixture after being stirred overnight, followed by the addition of 5 mL of a 1.4 N HCl aqueous solution. The layers were separated and the aqueous layer was extracted with DCM (2*100 mL). The extracts were combined and solvents were evaporated in vacuo. The residue was purified by HPLC to give 4-acetamido-3,5-dichloro-benzonitrile. MS (ESI) (M-H)+=227.05. 1H-NMR (300 MHz, CDCl3) delta 7.63 (s, 2H), 2.21 (s, 3H).
To a solution of 3,5-dichloro-4-amino-benzonitrile (187 mg, 1 mmol) in 4 mL of THF at room temperature was added 2.2 mL of 1.0 M NaHMDS in THF. The resulting reaction mixture was stirred at room temperature for 30 min, at which time acetyl chloride (3.1 mmol) was added. DCM (100 mL) and water (100 mL) were added to the reaction mixture after being stirred overnight, followed by the addition of 5 mL of a 1.4 N HCl aqueous solution. The layers were separated and the aqueous layer was extracted with DCM (2*100 mL). The extracts were combined and solvents were evaporated in vacuo. The residue was purified by HPLC to give 4-acetamido-3,5-dichloro-benzonitrile. MS (ESI) (M-H)+=227.05. 1H NMR (300 MHz, CDCl3) delta 7.63 (s, 2H), 2.21 (s, 3H).
 

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