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Chemical Structure| 477848-99-0 Chemical Structure| 477848-99-0

Structure of 477848-99-0

Chemical Structure| 477848-99-0

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Product Details of [ 477848-99-0 ]

CAS No. :477848-99-0
Formula : C19H13N3O2S
M.W : 347.39
SMILES Code : N#CC(C#N)=CC1=CN(S(=O)(C2=CC=C(C)C=C2)=O)C3=C1C=CC=C3
MDL No. :MFCD02571983

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Application In Synthesis of [ 477848-99-0 ]

* 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 [ 477848-99-0 ]

[ 477848-99-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 477848-99-0 ]
  • [ 3382-18-1 ]
  • C30H26N4O4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
77% In N,N-dimethyl-formamide; at 50℃; for 14h;Molecular sieve; A mixture of3,4-dihydro-isoquinoline imine 1 (0.3 mmol), 2-((1-sulfonyl-1H-indol-3-yl)methylene)malononitrile 2 (0.1 mmol), 4 Åmolecular sieves (100 mg) and DMF (0.5 mL) was stirred at50 C. Upon the consumption of 2 (monitored by TLC), the reactionwas diluted with CH2Cl2 (3 mL) and washed with water (3mL) and brine (3 mL). The organic layer was concentrated and purified by a silica gel flash chromatography (PE/EtOAc) to afford compound 3. Spectral Data for Selected CompoundsCompound 3a: Purified by flash column chromatography(PE/EtOAc, 4:1); Yield: 43.3 mg (77%); yellow solid. 1H NMR(400 MHz, CDCl3): δ = 8.03 (d, J = 8.3 Hz, 1 H), 7.97 (s, 1 H), 7.93(s, 1 H), 7.69 (d, J = 7.8 Hz, 1 H), 7.50-7.44 (m, 2 H), 7.41 (t, J =7.2 Hz, 1 H), 7.34 (d, J = 8.3 Hz, 2 H), 7.02 (d, J = 8.0 Hz, 2 H), 6.60(s, 1 H), 6.40 (s, 1 H), 3.99 (dd, J = 14.3, 5.1 Hz, 1 H), 3.87 (s, 3 H),3.67 (s, 3 H), 3.36 (ddd, J = 14.4, 11.8, 5.1 Hz, 1 H), 2.84-2.68 (m,2 H), 2.32 (s, 3 H); 13C{1H} NMR (100 MHz, CDCl3): δ = 150.3,149.8, 148.8, 144.0, 136.6, 136.3, 132.6, 129.5, 127.3, 127.0,126.7, 125.2, 123.8, 120.9, 118.1, 114.9, 112.4, 111.3, 111.2,109.5, 77.4, 65.5, 56.1, 56.0, 39.4, 26.4, 21.5; HRMS (ESI): m/z[M+H]+ calcd. for C30H27N4O4S+: 539.1748; found: 539.1743.
 

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