2-[5-Methyl-4-((2,2,2-trifluorethoxy)-2-pyridinyl)-methylthio]-benzimidazole

Base Information

Chemical Name:2-[5-Methyl-4-((2,2,2-trifluorethoxy)-2-pyridinyl)-methylthio]-benzimidazole
CAS No.:103577-41-9
Molecular Formula:C₁₆H₁₄F₃N₃OS
Molecular Weight:353.368
Hs Code.:
DSSTox Substance ID:DTXSID401132171
Mol file:103577-41-9.mol

Synonyms:103577-41-9;2-[5-METHYL-4-((2,2,2-TRIFLUORETHOXY)-2-PYRIDINYL)-METHYLTHIO]-BENZIMIDAZOLE;2-[[5-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole;YVGVHRFJKMEOMW-UHFFFAOYSA-N;SCHEMBL6871817;DTXSID401132171;CID 13654769;2-[[[5-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazole

Suppliers and Price of 2-[5-Methyl-4-((2,2,2-trifluorethoxy)-2-pyridinyl)-methylthio]-benzimidazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-[5-METHYL-4-((2,2,2-TRIFLUORETHOXY)-2-PYRIDINYL)METHYLTHIO]BENZIMIDAZOLE 95.00%
5MG
$ 502.55

Total 5 raw suppliers

Chemical Property of 2-[5-Methyl-4-((2,2,2-trifluorethoxy)-2-pyridinyl)-methylthio]-benzimidazole

Chemical Property:

PSA：76.10000
LogP:4.49970
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:353.08096774
Heavy Atom Count:24
Complexity:413

Purity/Quality:

98%min ^*data from raw suppliers

2-[5-METHYL-4-((2,2,2-TRIFLUORETHOXY)-2-PYRIDINYL)METHYLTHIO]BENZIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(N=C1)CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F

Technology Process of 2-[5-Methyl-4-((2,2,2-trifluorethoxy)-2-pyridinyl)-methylthio]-benzimidazole

There total 3 articles about 2-[5-Methyl-4-((2,2,2-trifluorethoxy)-2-pyridinyl)-methylthio]-benzimidazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 21816-42-2
2,5-dimethyl-4-nitropyridine 1-oxide

: 103577-41-9
2-[5-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethylsulfanyl]-1H-benzoimidazole

Guidance literature:: Multi-step reaction with 3 steps

1: 54 percent / K₂CO₃ / acetonitrile / 90 - 100 °C

2: 1) Ac₂O, conc. H₂SO₄, 2) aq. NaOH / 1) 100-120 deg C, 2) MeOH, rt

3: 1) SOCl₂, 2) MeONa / 1) CHCl₃, reflux, 2) MeOH, reflux

With sodium hydroxide; thionyl chloride; sulfuric acid; sodium methylate; acetic anhydride; potassium carbonate; In acetonitrile;
DOI:10.1248/cpb.38.2853

Reference yield:

: 103577-62-4
2,5-Dimethyl-4-(2,2,2-trifluoro-ethoxy)-pyridine 1-oxide

: 103577-41-9
2-[5-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethylsulfanyl]-1H-benzoimidazole

Guidance literature:: Multi-step reaction with 2 steps

1: 1) Ac₂O, conc. H₂SO₄, 2) aq. NaOH / 1) 100-120 deg C, 2) MeOH, rt

2: 1) SOCl₂, 2) MeONa / 1) CHCl₃, reflux, 2) MeOH, reflux

With sodium hydroxide; thionyl chloride; sulfuric acid; sodium methylate; acetic anhydride;
DOI:10.1248/cpb.38.2853

Reference yield:

: 103577-73-7
[5-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-yl]-methanol

: 134469-07-1
Benzimidazol-2-thiol

: 103577-41-9
2-[5-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethylsulfanyl]-1H-benzoimidazole

Guidance literature:: With thionyl chloride; sodium methylate; Yield given. Multistep reaction; 1) CHCl₃, reflux, 2) MeOH, reflux;
DOI:10.1248/cpb.38.2853