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Chemical Structure| 6972-74-3 Chemical Structure| 6972-74-3

Structure of 6972-74-3

Chemical Structure| 6972-74-3

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Product Details of [ 6972-74-3 ]

CAS No. :6972-74-3
Formula : C10H7Cl2N3O2
M.W : 272.09
SMILES Code : O=C1NC(C=C(NC2=CC=C(Cl)C(Cl)=C2)N1)=O
English Name :6-((3,4-Dichlorophenyl)amino)pyrimidine-2,4(1H,3H)-dione

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Application In Synthesis of [ 6972-74-3 ]

* 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 [ 6972-74-3 ]

[ 6972-74-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6972-74-3 ]
  • [ 112641-20-0 ]
  • [ 1422035-05-9 ]
YieldReaction ConditionsOperation in experiment
62% In N,N-dimethyl-formamide for 4h; Reflux; 17 General method for the preparation of 10-aryl-5-deaza-flavins using 2-halobenzaldehydes or 2-tosylbenzaldehydes General procedure: A mixture of a 6-(arylamino)pyrimidine-2,4(1H,3H)-dione 3a (1 equiv) and a 2-halo- or 2-tosyl-benzaldehyde 4 (X = F, Cl, or OTs; 1.2 equiv) in DMF (10 mL/mmol 3a) was heated under reflux for 4 h. After cooling, the solution was evaporated under reduced pressure and the residue was purified by flash chromatography (5:95 MeOH-CH2Cl2) to afford the product. 5.17 10-(3,4-Dichlorophenyl)-9-(trifluoromethyl)-2H,3H,4H, 10H-pyrimido[4,5-b]quinoline-2,4-dione (16) Prepared using general method 5.7 from 3a (R5 = H, R6,7 = Cl; 64 mg, 0.24 mmol) 47 and 4 (R1-3 = H, R4 = CF3, X = F; 55 mg, 0.29 mmol). Yellow solid (62.3 mg, 62%). Mp 320-322 °C; IR (KBr): 3.486 (NH), 1.705 (C=O), 1.655 (C=O), 1.609 (C=C) cm-1; 1H NMR: δ 7.46 (1H, dd, 4J = 1.1 Hz, 3J = 8.6 Hz, Ph 6-H), 7.69 (1H, t, J = 7.8 Hz, C7-H), 7.73 (1H, d, 4J = 1.1 Hz, Ph 2-H), 7.81 (1H, d, J = 8.6 Hz, Ph 5-H), 8.23 (1H, dd, 4J = 1.6 Hz, 3J = 7.8 Hz, C8-H), 8.50 (1H, dd, 4J = 1.6 Hz, 3J = 7.8 Hz, C6-H), 9.12 (1H, s,C5-H), 11.30 (1H, s, N3-H); 13C NMR: δ 116.71 (Cq), 118.33 (Cq), 121.67 (Cq), 124.46 (Cq), 125.13 (CH), 130.37 (CH), 130.94 (Cq), 132.28 (CH), 132.58 (Cq), 133.14 (CH), 135.71 (CH), 137.30 (CH), 139.84 (Cq), 143.71 (CH), 156.61 (Cq), 161.14 (Cq), 161.88 (Cq); anal. RP-HPLC: tR 6.40 min (99.4%, A), 6.35 min (98.7%, B) HRMS (ESI+): calcd for C18H9Cl2F3N3O2 [M+H]+ 426.0024, found 426.0034.
 

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