ChemicalBook--->CAS DataBase List--->475111-38-7

475111-38-7

475111-38-7 Structure

475111-38-7 Structure
IdentificationBack Directory
[Name]

4-(4-CHLORO-6-(2-(DIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOL-1-YL)-1,3,5-TRIAZIN-2-YL)MORPHOLINE
[CAS]

475111-38-7
[Synonyms]

EOS-60790
-1,3,5-triazin-2-yl)
-1H-benzo[d]imidazol-1-yl)
4-(4-Chloro-6-(2-(difluoromethyl)
Oxazole,2-(chloromethyl)-8-methyl-
Ethanone,2-bromo-1-[7-(trifluoromethyl)phenyl]-
1-[4-chloro-6-(Morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoroMethyl)-1H-1,3-be
1-(4-chloro-6-Morpholino-1,3,5-triazin-2-yl)-2-(difluoroMethyl)-1H-benzo[d]iMidazole
1-[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-1H-Benzimidazole
1H-Benzimidazole, 1-[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-
1-[4-chloro-6-(Morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoroMethyl)-1H-1,3-benzodiazole
4-(4-CHLORO-6-(2-(DIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOL-1-YL)-1,3,5-TRIAZIN-2-YL)MORPHOLINE
[Molecular Formula]

C15H13ClF2N6O
[MDL Number]

MFCD10698736
[MOL File]

475111-38-7.mol
[Molecular Weight]

366.75
Chemical PropertiesBack Directory
[Melting point ]

230-231 °C(Solv: ethanol (64-17-5))
[Boiling point ]

583.0±60.0 °C(Predicted)
[density ]

1.65±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

1.53±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P231-P222-P305+P351+P338-P403+P233-P422-P501
Hazard InformationBack Directory
[Synthesis]

2,4-DICHLORO-6-MORPHOLINO-1,3,5-TRIAZINE

6601-22-5

2-Difluoromethyl-1H-benzoimidazole

705-09-9

4-(4-CHLORO-6-(2-(DIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOL-1-YL)-1,3,5-TRIAZIN-2-YL)MORPHOLINE

475111-38-7

The reaction was carried out with 2-(difluoromethyl)-1H-benzo[d]imidazole (67.0 g, 400 mmol) and 2,4-dichloro-6-morpholino-1,3,5-triazine (94.0 g, 400 mmol) as raw materials in the presence of anhydrous potassium carbonate (221.1 g, 1600 mmol), stirred for 4 hours at room temperature in DMF (1.60 L). Upon completion of the reaction, the mixture was poured into water and a white precipitate was precipitated. The precipitate was collected by filtration and washed sequentially with DMF and acetone. Subsequently, the solid was dried under reduced pressure to afford the white crystalline product 4-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine (131.5 g, 358.6 mmol) in 90% yield. Mass spectral analysis showed m/z: 366 (M+). 1H-NMR (CDCl3) data were as follows: δ 3.80-3.87 (4H, m), 3.94-4.01 (4H, m), 7.38-7.53 (2H, m), 7.58 (1H, t, J=54 Hz), 7.90 (1H, d, J=7 Hz), 8.42 (1H, d J=7Hz).

[References]

[1] Patent: US2007/244110, 2007, A1. Location in patent: Page/Page column 4
[2] Patent: WO2014/164942, 2014, A1. Location in patent: Paragraph 0206-0207
[3] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 2, p. 206 - 210
[4] Patent: WO2014/5182, 2014, A1. Location in patent: Page/Page column 40
[5] Patent: WO2011/114275, 2011, A1. Location in patent: Page/Page column 74
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