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Chemical Structure| 956901-23-8 Chemical Structure| 956901-23-8

Structure of 956901-23-8

Chemical Structure| 956901-23-8

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Product Details of [ 956901-23-8 ]

CAS No. :956901-23-8
Formula : C9H13ClF2N2O2S
M.W : 286.73
SMILES Code : CS(=O)(NC1=C(F)C=C([C@H](N)C)C=C1F)=O.[H]Cl
MDL No. :MFCD20528292

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Application In Synthesis of [ 956901-23-8 ]

* 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 [ 956901-23-8 ]

[ 956901-23-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 956901-23-8 ]
  • [ 71082-51-4 ]
  • [ 958328-53-5 ]
YieldReaction ConditionsOperation in experiment
30% With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 20.0℃; for 2.0h; Example 2727A) N-((1R)-1-{3,5-DIFLUORO-4-[(METHYLSULFONYL)AMINO]PHENYL}ETHYL)-7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXAMIDE To a DMF (20 ml) solution of <strong>[71082-51-4]7-(trifluoromethyl)quinoline-3-carboxylic acid</strong> (240 mg, 1.00 mmol), the compound of Example 3D (287 mg, 1.00 mmol) and HBTU (455 mg, 1.20 mmol) was added triethylamine (0.42 ml, 3.00 mmol) and the mixture was stirred for 2 hours at room temperature. The same procedure as described in Example 10 was performed to furnish the title compound (144 mg, 30% yield) as a white solid.1H NMR (270 MHz, DMSO-d6) delta 1.53 (3H, d, J=7.3 Hz), 3.06 (3H, s), 5.17-5.31 (1H, s), 7.25-7.35 (2H, m), 7.96-8.03 (1H, m); 8.37-8.44 (1H, m), 8.46 (1H, s), 9.02-9.05 (1H, m), 9.30-9.37 (1H, m), 9.42-9.45 (1H, m), 9.51 (1H, br.s).MS (ESI) m/z 472 (M-H)-, 474 (M+H)+.
 

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