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[ CAS No. 618-39-3 ]

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2D
Chemical Structure| 618-39-3
Chemical Structure| 618-39-3
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Product Details of [ 618-39-3 ]

CAS No. :618-39-3MDL No. :MFCD00042826
Formula : C7H8N2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :120.15Pubchem ID :2332
Synonyms :

Computed Properties of [ 618-39-3 ]

TPSA : 49.9 H-Bond Acceptor Count : 1
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 618-39-3 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 618-39-3 ]

  • Upstream synthesis route of [ 618-39-3 ]
  • Downstream synthetic route of [ 618-39-3 ]

[ 618-39-3 ] Synthesis Path-Upstream   1~10

  • 1
  • [ 618-39-3 ]
  • [ 29509-92-0 ]
Reference: [1] RSC Advances, 2014, vol. 4, # 42, p. 22106 - 22114
  • 2
  • [ 618-39-3 ]
  • [ 289-96-3 ]
  • [ 7431-45-0 ]
Reference: [1] Journal of the American Chemical Society, 2011, vol. 133, # 31, p. 12285 - 12292
  • 3
  • [ 618-39-3 ]
  • [ 7431-45-0 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1990, vol. 27, # 2, p. 295 - 305
  • 4
  • [ 114078-88-5 ]
  • [ 618-39-3 ]
  • [ 38696-20-7 ]
Reference: [1] Journal of the American Chemical Society, 2011, vol. 133, # 31, p. 12285 - 12292
  • 5
  • [ 61310-53-0 ]
  • [ 618-39-3 ]
  • [ 33630-25-0 ]
YieldReaction ConditionsOperation in experiment
61.8% at 135℃; for 3 h; [00200] A solution of benzamidine (0.655 niL, 5.15 mmol) in 3-ethoxyacrylonitrile (0.500 g, 5.15 mmol) was allowed to stir at 135 °C for 3 hand was then allowed to cool toil and stir for another 16 h. The reaction was concentrated and the crude compound was purified by column chromatography to provide 2-phenylpyrimidin-4-amine (0.545 g, 61.8percent) as a solid. LCMS (FA): m/z 172.4 (M+H).
61.8% at 20 - 135℃; for 19 h; 2-Phenylpyrimidin-4-amine
A solution of benzamidine (0.655 mL, 5.15 mmol) in 3-ethoxyacrylonitrile (0.500 g, 5.15 mmol) was allowed to stir at 135° C. for 3 h and was then allowed to cool to rt and stir for another 16 h.
The reaction was concentrated and the crude compound was purified by column chromatography to provide 2-phenylpyrimidin-4-amine (0.545 g, 61.8percent) as a solid. LCMS (FA): m/z=172.4 (M+H).
Reference: [1] Patent: WO2015/108861, 2015, A1, . Location in patent: Paragraph 00200
[2] Patent: US2015/225422, 2015, A1, . Location in patent: Paragraph 0266-0267
  • 6
  • [ 140367-35-7 ]
  • [ 618-39-3 ]
  • [ 33630-25-0 ]
Reference: [1] Russian Journal of General Chemistry, 2005, vol. 75, # 4, p. 527 - 532
  • 7
  • [ 618-39-3 ]
  • [ 14790-42-2 ]
Reference: [1] ChemMedChem, 2017, vol. 12, # 16, p. 1390 - 1398
  • 8
  • [ 1774-66-9 ]
  • [ 618-39-3 ]
  • [ 58536-46-2 ]
YieldReaction ConditionsOperation in experiment
86% With oxygen; triethylamine In acetonitrile at 80℃; for 4.5 h; General procedure: A round bottom flask was charged with the substitutedchalcone 1 (1.0 mmol), benzamidine 2 (1.0 mmol), triethylamine(2.0 mmol) and acetonitrile (10 mL). The mixturewas heated to 80 °C for 4-14 h, and then cooled to r.t.Evaporation of the solvent gave a crude reaction mixture, towhich water (10 mL) was added and the resulting mixturewas extracted with EtOAc (3 20 mL). The combined organiclayer was washed with 1N HCl (20 mL), brine anddried over anhydrous Na2SO4. The solvent was concentratedunder reduced pressure and residue obtained was purified bysilica gel column chromatography (100-200 mesh) using nhexane:Et2O (95:05) as the eluent to afford the correspondingpyrimidine 3.
Reference: [1] Letters in Organic Chemistry, 2015, vol. 12, # 7, p. 447 - 458
  • 9
  • [ 1750-23-8 ]
  • [ 618-39-3 ]
  • [ 23449-08-3 ]
Reference: [1] Journal of Materials Chemistry, 2007, vol. 17, # 35, p. 3714 - 3719
  • 10
  • [ 618-39-3 ]
  • [ 108-59-8 ]
  • [ 13566-71-7 ]
Reference: [1] Patent: US5216159, 1993, A,
[2] Patent: US5326868, 1994, A,
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