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Chemical Structure| 261761-55-1 Chemical Structure| 261761-55-1

Structure of 261761-55-1

Chemical Structure| 261761-55-1

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Product Details of [ 261761-55-1 ]

CAS No. :261761-55-1
Formula : C7H6Cl2N2O
M.W : 205.04
SMILES Code : NC(=NO)C1=CC=CC(Cl)=C1Cl
MDL No. :MFCD01567248

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Application In Synthesis of [ 261761-55-1 ]

* 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 [ 261761-55-1 ]

[ 261761-55-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6574-97-6 ]
  • [ 261761-55-1 ]
YieldReaction ConditionsOperation in experiment
36% With hydroxylamine hydrochloride; triethylamine; In ethanol; at 50℃; for 16h; To a solution of <strong>[6574-97-6]2,3-<strong>[6574-97-6]dichlorobenzonitrile</strong></strong> (500 mg, 3.30 mmol) in 10 ml ethanol was added hydroxylammonium chloride (303 mg, 4.0 mmol) and triethylamine (382 mg, 4.0 mmol) and then the reaction mixture was stirred 16 h at 50 °C. After cooling to RT, the solvent was evaporated and the crude was solved in ethyl acetate and dichloromethane and extracted with water. The organic phase was dried over magnesium sulfate, filtered and evaporated under vacuum to yield the title compound (225 mg, 36 percent of theory). LC-MS (method 2B): RT = 1.66min, m/z = 205 (M+H)+
  • 2
  • [ 886501-33-3 ]
  • [ 261761-55-1 ]
YieldReaction ConditionsOperation in experiment
2,3-dichIoro-iV-hydroxybenzamidineTo <strong>[886501-33-3]2-chloro-3,6-difluorobenzonitrile</strong> (0.36 g, 2.08 mmol) in 95 % EtOH (4 mL) was added H2NOH-HCl (0.32 g, 4.56 mmol) and Et3N (0.66 mL, 4.77 mmol). The mixture was stirred at 75 0C for 18 h. After cooling to rt, the mixture was filtered. The filtrate was diluted with water (3 mL), and neutralized to pH 7 with aq. cone. HCl. The solvents were partially evaporated under reduced pressure, and the residue was filtered, washed with water, and dried under vacuum. The residue (0.4Ig) was used in the next step without further purification. LC-MS: Rt = 0.34 min, ES+=207.02.
 

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