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Chemical Structure| 4779-36-6 Chemical Structure| 4779-36-6

Structure of 4779-36-6

Chemical Structure| 4779-36-6

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Product Details of [ 4779-36-6 ]

CAS No. :4779-36-6
Formula : C12H8ClNO4S
M.W : 297.71
SMILES Code : O=S(C1=CC=C(Cl)C([N+]([O-])=O)=C1)(C2=CC=CC=C2)=O
MDL No. :MFCD22123586

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* 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 [ 4779-36-6 ]

[ 4779-36-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 97-08-5 ]
  • [ 71-43-2 ]
  • [ 4779-36-6 ]
YieldReaction ConditionsOperation in experiment
96% With aluminum (III) chloride; at 20℃; for 18h;Heating / reflux; Example 1: tert-Butyl 4-([5-(phenylsulfonyl)-2- (trifluoromethyl)phenyl)thio}methyl)piperidine-l-carboxylate[0061] Step l : l-Chloro-2-nitro-4-(phenylsulfonyl)benzeneAluminum chloride (15.64 g, 117.3 mmol) was added to a solution of 4-chloro-3-nitro- benzenesulfonyl chloride (25.02 g, 97.7 mmol) in 75 mL of benzene and the reaction stirred under nitrogen at room temperature for 16 h and then refluxed for 2 h. After cooling to room temperature 2 N HCl (75 mL) was added dropwise. The mixture was partitioned between 2 N HCl and ethyl acetate. The emulsion that formed was separated by the addition of saturated NaCl. The organic layer was separated, extracted one time with water, one time with saturated NaCl, dried (anhydrous MgSO4), filtered and the solvent removed under reduced pressure to give l-chloro-2-nitro-4-(phenylsulfonyl)benzene (27.84 g, 96%) as a brown solid, MS (EI) m/z 296.9;HRMS: calcd for Ci2H8ClNO4S, 296.98626; found (EI, M+.), 296.9849.
 

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