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Chemical Structure| 1142945-86-5 Chemical Structure| 1142945-86-5

Structure of 1142945-86-5

Chemical Structure| 1142945-86-5

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Product Details of [ 1142945-86-5 ]

CAS No. :1142945-86-5
Formula : C18H14ClN3O2S2
M.W : 403.91
SMILES Code : O=S(N1C=CC2=C(C3=CC(C)=CS3)N=C(Cl)N=C21)(C4=CC=C(C)C=C4)=O
MDL No. :MFCD16877476

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Application In Synthesis of [ 1142945-86-5 ]

* 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 [ 1142945-86-5 ]

[ 1142945-86-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 29608-05-7 ]
  • [ 1142945-86-5 ]
  • C30H31N5O2S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tri-tert-butyl phosphine; triethylamine;palladium diacetate; In N,N-dimethyl-formamide; toluene; at 180℃; for 0.333333h;Microwave irradiation; In a microwave vial was sequentially added 9 (0.150 g, 0.37 mmol), Pd(OAc)2 (0.008 g, 0.037 mmol), DMF (3 mL), 4-(piperidin-l-ylmethyl)aniline (0.085 g, 0.45 mmol), P(Z-Bu)3 (1 M in toluene, 0.074 mL, 0.074 mmol), and triethylamine (0.52 mL, 3.71 mmol). The reaction mixture was heated 20 min at 180 0C in a Biotage microwave reactor and then cooled to room temperature. The resulting mixture was added a solution of 1.0 M tetrabutylammonium fluoride in TetaF (0.5 mL) and stirred 20 min at 110 0C. Upon cooling to <n="59"/>room temperature the resulting mixture was separated by preparative HPLC. Fractions that contained the desired product were combined, neutralized with saturated Na2CO3, and extracted with EtOAc. The organic layer was dried over MgSO4 and concentrated to afford the title compound as a yellow solid (0.016 g, 11%).[0148] 1H NMR (500 MHz, DMSO-d6): delta 1.66-1.69 (m, 2H), 1.74-1.76 (m, 4H), 2.33 (s, 3H), 2.76-2.84 (m, 2H), 3.28 (d, J = 11.7 Hz, 2H), 4.16 (d, J = 5.1 Hz, 2H), 6.88 (dd, J = 3.6, 1.8 Hz, IH), 7.34 (dd, J = 3.5, 2.2 Hz, IH), 7.42 (s, IH), 7.48 (d, J = 8.6 Hz, 2H), 7.95 (s, IH), 7.98 (d, J = 8.7 Hz, 2H), 9.51 (s, IH), 10.24 (s, IH), 11.75 (s, IH) MS (ES+): m/z 404 (M+H)+
 

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