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Chemical Structure| 161833-43-8 Chemical Structure| 161833-43-8

Structure of 161833-43-8

Chemical Structure| 161833-43-8

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Product Details of [ 161833-43-8 ]

CAS No. :161833-43-8
Formula : C4H4BrNS
M.W : 178.05
SMILES Code : NC1=CSC=C1Br
MDL No. :MFCD24645474

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Application In Synthesis of [ 161833-43-8 ]

* 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 [ 161833-43-8 ]

[ 161833-43-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 161833-43-8 ]
  • [ 26638-43-7 ]
  • methyl 2-(N-(4-bromothiophen-3-yl)sulfamoyl)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
59% With pyridine; at 20℃; for 0.25h; To a solution of 3-amino-4-bromothiophene (prepared according to the procedure described in Uy, R. et al. 2011) (2.01 g, 11.29 mmol) in anhydrous pyridine (8.0 mL) was carefully added methyl 2- (chlorosulfonyl) benzoate (2.52 g, 10,75 mmol) and the resulting solution was left to stir at room temperature for 15 rain. The reaction was then diluted with CH2CI2 (75 mL) and washed with 7% aq, HCi (2 x 75 mL) , brine (50 mL) , saturated aq. NaHCOs (75 mL) , and brine again (50 mL) . After drying over Na SC> and concentration the crude product was obtained as a black solid. This material was purified by column chromatography ( CH2CI2 : hexanes - 8:2) to yield sulfonamide lb as a tan, crystalline solid (2.37 g, 59%). H NMR (400 MHz, CDC13) delta 8.34 (s, 1H) , 7.95 (dd, J = 7.7, 1.3 Hz, 1H) , 7.87 (dd, J = 7.5, 1.4 Hz, 1H) , 7.63 (td, J = 7.6, 1.4 Hz, 1H) , 7.57 (td, J = 7.6, 1.5 Hz, 1H) , 7.29 (d, J = 3.6 Hz, 1H) , 7.13 (d, J = 3.6 Hz, 1H) , 4.04 (s, 3H) ; 13C NMR (101 MHz , CDC13) delta 167.6, 138.7, 133.00, 132.97, 131.8, 131.2, 130.7, 130.0, 122.5, 113.4, 106.0, 53.6; LR-MS calcd. for Ci2HuBrN04S2 [ +EtaGamma 377.93, found 378.38.
 

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[ 161833-43-8 ]

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