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Chemical Structure| 727-31-1 Chemical Structure| 727-31-1

Structure of 727-31-1

Chemical Structure| 727-31-1

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Product Details of [ 727-31-1 ]

CAS No. :727-31-1
Formula : C13H12FNO2S
M.W : 265.30
SMILES Code : O=S(C1=CC=C(C)C=C1)(NC2=CC=C(F)C=C2)=O
MDL No. :MFCD00595010

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Application In Synthesis of [ 727-31-1 ]

* 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 [ 727-31-1 ]

[ 727-31-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 198211-38-0 ]
  • [ 727-31-1 ]
  • tert-butyl [3-(4-[(4-methylphenyl)sulphonyl]amino}phenyl)-3-azabicyclo[3.1.0]hex-6-yl]carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 130℃; Example 5; Synthesis of N-[4-(6-amino-3-azabicyclo[3.1.0]hex-3-yl)phenyl]-4-methylbenzenesulph onamideStep a: Synthesis of tert-butyl [3-(4-[(4-methylphenyl)sulphonyl]amino}phenyl)-3-azabicyclo[3.1.0]hex-6-yl]carbamateTo a solution of 4-fluoroaniline (1.0 g, 9.0 mmol), and triethylamine (1.32 g, 18.0 mmol) in DCM (25.0 mL) under N2 atmosphere, was added p-toluenesulphonyl chloride (1.88 g, 9.9 mmol) at 0 C. The mixture was warmed to room temperature and stirred overnight. The mixture was diluted with DCM (25.0 mL), washed with water and brine, dried over anhydrous sodium sulphate and concentrated in vacuo. The crude product (1.50 g, 5.66 mmol), obtained, was mixed with tert-butyl 3-azabicyclo[3.1.0]hex-6-ylcarbamate (1.35 g, 6.79 mmol), and potassium carbonate (1.56 g, 11.32 mmol) in DMF (5.0 mL) and heated at 130 C. overnight. The mixture was partitioned between water (30.0 mL) and ethyl acetate (30.0 mL). The organic layer was washed with water and brine, dried over anhydrous sodium sulphate and concentrated in vacuo to afford the residue, which was purified by column chromatography (silica gel 100-200 mesh, 15% ethyl acetate in hexane) to provide the title compound (650 mg, 16%).1H NMR (400 MHz, MeOH-d4): delta 2.12 (s, 2H), 2.36 (s, 3H), 2.40-2.50 (m, 4H), 3.25-3.40 (m, 2H), 3.60-3.70 (m, 2H), 6.4-6.9 (m, 4H), 7.15-7.70 (m, 8H); ESI-MS (m/z): 444.17 (M++1)
 

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