| Identification | More | [Name]
2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylthio-1H-benzimidazole | [CAS]
103577-40-8 | [Synonyms]
2-[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL]METHYL THIO-1H-BENZIMIDAZOLE
2-[[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRID-2YL]METHYLTHIO]BENZIMIDAZOLE
2-((METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINYL)THIO)-1H-BINZIMIDAZOLE
LANSOPRAZOLE SULFIDE
2-[[[3 methyl-4-(2,2,2 trifluoroethoxy) 2-pyridyl]-methyl] thio]-1H-benzimidazole
2-[[(3-Methyl-4-(2,2,2-Trifluoroethoxy) Pyridinyl) Methyl] Thio]-1H-Benzimidazole
2-[[[3-Methyl-4-(2,2,2-Trifluoroethyoxy)-2-Pyridyl]-Methyl]Thio]-1H-Benzimidazole
2-[3-Methyl-4-(2,2,2-Trifluoroethoxy)Methylthio-1H-Benzimidazole
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridinyl)thio)-(1H)-binzimidazole
Lansoprazole sulphide compound
2-[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL ]METHYL THIO-1H-BENZIMIDAZOLE 98+%
AG 1777
H 225/18
K 1252
2-[(1H-Benzoimidazole-2-yl)thiomethyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
2-[[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-yl]methylthio]-1H-benzoimidazole
2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinylmethylthio]-1H-benzoimidazole | [EINECS(EC#)]
1533716-785-6 | [Molecular Formula]
C16H14F3N3OS | [MDL Number]
MFCD00834357 | [Molecular Weight]
353.36 | [MOL File]
103577-40-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Pale Yellow Solid | [Melting point ]
149-150°C | [Boiling point ]
494.9±55.0 °C(Predicted) | [density ]
1.41 | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
10.60±0.10(Predicted) | [color ]
White to Pale Orange | [Usage]
A metabolite of Lansoprazole, as gastric pump inhibitor | [λmax]
292nm(EtOH)(lit.) | [Major Application]
pharmaceutical | [InChI]
InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) | [InChIKey]
CCHLMSUZHFPSFC-UHFFFAOYSA-N | [SMILES]
C1(SCC2=NC=CC(OCC(F)(F)F)=C2C)NC2=CC=CC=C2N=1 | [CAS DataBase Reference]
103577-40-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Safety Statements ]
24/25 | [WGK Germany ]
WGK 3 | [REACH Registrations]
Active | [HS Code ]
29309090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
Pale Yellow Solid | [Uses]
A metabolite of Lansoprazole, as gastric pump inhibitor | [Uses]
Lansoprazole Sulfide (Lansoprazole EP Impurity C; USP Impurity B) is a metabolite of Lansoprazole, as gastric pump inhibitor. | [Synthesis]
2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine (91 g, 0.38 mol) and 1H-benzo[d]imidazole-2-thiol (57 g, 0.38 mol) were used as raw materials, suspended in methanol (1 L), and benzyltributylammonium bromide (2.15 g) was added as a phase transfer catalyst. A 30% NaOH solution (65 mL) was added slowly and dropwise over a period of 1 h, followed by stirring the reaction for 2 h at room temperature. Upon completion of the reaction, water (300 mL) was added to the reaction mixture and stirring was continued for 30 min. The mixture was cooled to 10 °C and the pH was adjusted to 9 with 35% HCl, at which point the target product 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole precipitated as a precipitate. The precipitate was collected by filtration and washed sequentially with 50% methanol and water. Finally, the product was dried under vacuum at 50 °C to give 129 g in 96% yield. | [References]
[1] Organic Process Research and Development, 2013, vol. 17, # 10, p. 1272 - 1276
[2] Patent: CN106543146, 2017, A. Location in patent: Paragraph 0025; 0031; 0032; 0041; 0045; 0049; 0053-0069
[3] Synthetic Communications, 2002, vol. 32, # 8, p. 1211 - 1217 |
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