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Chemical Structure| 1112983-23-9 Chemical Structure| 1112983-23-9

Structure of 1112983-23-9

Chemical Structure| 1112983-23-9

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Product Details of [ 1112983-23-9 ]

CAS No. :1112983-23-9
Formula : C18H22BClN2O5S
M.W : 424.71
SMILES Code : O=S(C1=CC=C(OC)C=C1)(NC2=CC(B3OC(C)(C)C(C)(C)O3)=CN=C2Cl)=O
MDL No. :MFCD13190587

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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 [ 1112983-23-9 ]

[ 1112983-23-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1112983-23-9 ]
  • [ 791626-58-9 ]
  • [ 1201842-62-7 ]
YieldReaction ConditionsOperation in experiment
12% With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In ethanol; at 90℃; for 2h; EXAMPLE 46; N-(5-(2-amino-6-quinolinyl)-2-chloro-3-pyridinyl)-4- methoxybenzenesulfonamide; A reaction tube was charged with sodium carbonate (353 μl, 706 μmol), Pd(Ph3P)4 (16 mg, 14 μmol), N-(2-chloro-5-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2- yl)pyridin-3-yl)-4-methoxybenzenesulfonamide (100 mg, 235 μmol), <strong>[791626-58-9]6-bromoquinolin-2-amine</strong> (53 mg, 235 μmol) and 1.2 mL EtOH. The tube was sealed and the mixture was heated at 90 0C for 2 h. The mixture was diluted with CH2Cl2 and washed with water. The organic portion was dried with MgSO4, filtered and concentrated. The crude material was dissolved in MeOH/DMSO and purified by reverse phase chromatography, 10-90% ACN/0.1% TFA in water over 15 min. The aqueous portion was brought to ~pH 7 and extracted. The organic portion was dried, filtered and concentrated to provide N-(5-(2-aminoquinolin-6-yl)-2-chloropyridin-3-yl)-4- methoxybenzenesulfonamide (12 mg, 12% yield) as a light yellow solid. MS (ESI pos. ion) m/z calc'd for C2IH17ClN4O3S: 440.9/442.9; found 441.0/443.0. 1H NMR (400 MHz, DMSO-d6) δ ppm 3.88 (s, 3 H), 6.88 (br s, 2 H), 6.89 (d, 1 H, J = 8), 7.15-7.18 (m, 2 H), 7.61 (d, 1 H, J = 8), 7.75-7.80 (m, 3 H), 7.97-8.00 (m, 2 H), 8.03-8.06 (m, 1 H), 8.62-8.63 (m, 1 H), 10.46 (br, s, 1 H).
 

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