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Chemical Structure| 135361-30-7 Chemical Structure| 135361-30-7

Structure of 135361-30-7

Chemical Structure| 135361-30-7

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Product Details of [ 135361-30-7 ]

CAS No. :135361-30-7
Formula : C10H6F3NO3S
M.W : 277.22
SMILES Code : O=S(C(F)(F)F)(OC1=CC2=C(C=C1)C=CN=C2)=O
MDL No. :MFCD11226848

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Application In Synthesis of [ 135361-30-7 ]

* 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 [ 135361-30-7 ]

[ 135361-30-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 66728-98-1 ]
  • [ 135361-30-7 ]
  • [ 848841-53-2 ]
YieldReaction ConditionsOperation in experiment
94% 4a) 1-Chloro-[4,7']biisoquinolinyl A solution of 4-BROMO-1-CHLOROISOQUINOLINE (see Example 2d) (5.0 g, 20.7 MMOL) in 150 mL THF is cooled TO-78C. A solution of n-BuLi (1.6 M in hexanes) (15 mL, 24 MMOL) is added dropwise and the reaction temperature is maintained AT-78C--68C. The reaction mixture is kept stirring AT-78C for 30 minutes. ZNBR2 (dried under vacuum at 80C) (6.5 g, 24.9 MMOL) is dissolved in 50 mL THF and is transferred to above mixture slowly AT-78C. The solution is stirred 40 minutes AT-78C, then warmed to room temperature by removing the cooling bath. Pd (PPh3) 4 (2.4 g, 2.1 mmol is added followed by TRIFLUOROMETHANESULFONIC acid ISOQUINOLIN-7-YL ESTER- (5.7 G, 20. 7 MMOL) in 50 mL THF. The reaction mixture is heated to 60C for 30 minutes and is then concentrated. The resulting oil is dissolved in dichloromethane and washed with saturated NAHCO3. ORGANIC phase is separated, dried (MgS04) and concentrated to give a yellow solid. The solid is collected by filtration, washed with ether then hexane and dried under vacuum. 5.68 G (94%) yellow solid is obtained. m. p. 169.0-169. 6C. H NMR (400 MHz, DMSO-d6) d 9.44 (s, 1 H) ; 8.61 (d, 1 H, J=5.6 Hz); 8.45-8. 43 (m, 1H) ; 8.40 (s, 1H) ; 8.34 (s, 1H) ; 8.18 (d, 1H, J=8.1 Hz); 7.97-7. 90 (m, 5H) ppm. API-MS, m/z 291. 14 ([M+H]+, calcd. 291.06).
 

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