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Chemical Structure| 1255871-11-4 Chemical Structure| 1255871-11-4

Structure of 1255871-11-4

Chemical Structure| 1255871-11-4

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Product Details of [ 1255871-11-4 ]

CAS No. :1255871-11-4
Formula : C13H8N2O
M.W : 208.22
SMILES Code : N#CC1=CC=C(C2=CC(C=O)=CN=C2)C=C1
MDL No. :MFCD18085127

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Application In Synthesis of [ 1255871-11-4 ]

* 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 [ 1255871-11-4 ]

[ 1255871-11-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1520-70-3 ]
  • [ 1255871-11-4 ]
  • [ 23719-80-4 ]
  • [ 1255869-57-8 ]
YieldReaction ConditionsOperation in experiment
51% Titanium isopropoxide (0.70 mL, 2.40 mmol) was added to a mixture of 4-(5-formyl- pyridin-3-yl)-benzonitrile (250 mg, 1.20 mmol) and <strong>[1520-70-3]ethanesulfonamide</strong> (144 mg, 1.32 mmol) in toluene (10 mL) at room temperature. The resulting mixture was heated to reflux for 2h. After concentration, the residue was dissolved in THF (1OmL) and cooled to -400C. C-PrMgBr (0.5 M in THF, 12.0 mL, 6.00 mmol) was added dropwise and the resulting mixture was stirred at -360C for 1h. Saturated NH4CI solution was then added to the reaction mixture. The resulting solution was diluted with ethyl acetate and brine. The mixture was filtered and the organic layer was separated. After concentration, the residue was purified by flash column (MeOH/OCM, v/v, 0-3percent) to give N-((5-(4- cyanophenyl)pyridin-3-yl)(cyclopropyl)methyl)ethanesu.fonamidbeta (210 mg, 51percent); ESI- MS mlz: 342 [M+1]+, 1H-NMR (MeOD. 400 MHz) d 8.83 (d, J- 2.0Hz1 1H), 8.69 (d, J= 2.0Hz, 1H), 8.24 (t, J- 2.0Hz, 1H), 7.92 (s, 4H), 3.96 (d, J= 9.2Hz, 1H), 3.06-2.93 (m, 2H), 1.35-1.31 (m, 1H), 1.31 (t, J- 7.2Hz. 3H)1 0.81-0.76 (m, 1H). 0.67-0.61 (m, 2H). 0.54-0.49 (m, 1H); enantiomers were separated by chiral HPLC (Chirafpak IA-H, EtOH/Heptane, v/v, 70/30) to the first peak (enantiomer 1, t " 10.20 min) and the second peak (enantiomer 2, t ~ 15.99 min).
 

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