3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole

Base Information

Chemical Name:3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole
CAS No.:719272-75-0
Molecular Formula:C₂₆H₂₃F₄N₅O
Molecular Weight:497.495
Hs Code.:
ChEMBL ID:CHEMBL373257
DSSTox Substance ID:DTXSID80468043
Pharos Ligand ID:ZKGA9W3U9TX3
Wikidata:Q82295138
Mol file:719272-75-0.mol

Synonyms:719272-75-0;3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole;CHEMBL373257;3-(4-Fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazole;SCHEMBL4317573;DTXSID80468043;BDBM50174298;PD159913;FT-0739262;3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicyclo[2.2.2]octan-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole;3-(4-fluorophenyl)-5-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4h-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole;3-(4-fluorophenyl)-5-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]4h-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole

Suppliers and Price of 3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole

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

Matrix Scientific
3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole 95+%
1g
$ 2950.00

Matrix Scientific
3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole 95+%
250mg
$ 1425.00

American Custom Chemicals Corporation
3-(4-FLUOROPHENYL)-5-(4-(4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOL-3-YL)BICYCLO(2.2.2)OCTAN-1-YL)-1,2,4-OXADIAZOLE 95.00%
5G
$ 18999.75

AK Scientific
3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole
1g
$ 4032.00

Total 12 raw suppliers

Chemical Property of 3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:625.901°C at 760 mmHg
Flash Point:332.333°C
PSA：69.63000
Density:1.453g/cm³
LogP:6.23360
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:497.18387302
Heavy Atom Count:36
Complexity:766

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN=C1C23CCC(CC2)(CC3)C4=NC(=NO4)C5=CC=C(C=C5)F)C6=CC=CC=C6C(F)(F)F

Technology Process of 3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole

There total 4 articles about 3-(4-Fluorophenyl)-5-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazole 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:

: 719274-58-5
3-(4-fluorophenyl)-5-(4-{5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole

: 107326-29-4
methylammonium trifluoroacetate

: 719272-75-0
3-(4-Fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]oct-1-yl]-1,2,4-oxadiazole

Guidance literature:: With methylamine; In methanol; at 150 ℃; for 48h;

Reference yield:

: 719274-56-3
methyl 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.2]octane-1-carboxylate

: 719272-75-0
3-(4-Fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]oct-1-yl]-1,2,4-oxadiazole

Guidance literature:: Multi-step reaction with 3 steps

1: potassium hydroxide; water / methanol / 12 h / 60 °C

2: 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine / dichloromethane / 48 h / 20 °C

3: methylamine / methanol / 48 h / 150 °C

With potassium hydroxide; water; 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine; methylamine; In methanol; dichloromethane;

Reference yield:

: 22179-78-8,69113-32-2,1055926-30-1,1164246-18-7
(Z)-4-fluoro-N'-hydroxybenzimidamide

: 719272-75-0
3-(4-Fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]oct-1-yl]-1,2,4-oxadiazole

Guidance literature:: Multi-step reaction with 4 steps

1.1: 1,1'-carbonyldiimidazole / dichloromethane / 1 h / 20 °C

1.3: 16 h / Heating / reflux

2.1: potassium hydroxide; water / methanol / 12 h / 60 °C

3.1: 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine / dichloromethane / 48 h / 20 °C

4.1: methylamine / methanol / 48 h / 150 °C

With potassium hydroxide; water; 2-chloro-1,3-dimethylimidazolinium chloride; triethylamine; 1,1'-carbonyldiimidazole; methylamine; In methanol; dichloromethane;