Itazigrel

Base Information

Chemical Name:Itazigrel
CAS No.:70529-35-0
Molecular Formula:C₁₈H₁₄F₃NO₂S
Molecular Weight:365.376
Hs Code.:
UNII:N835I8CXY0
DSSTox Substance ID:DTXSID70220798
Nikkaji Number:J33.116C
Wikidata:Q27284689
NCI Thesaurus Code:C96932
ChEMBL ID:CHEMBL277592
Mol file:70529-35-0.mol

Synonyms:2-trifluoromethyl-4,5-bis(4-methoxyphenyl)thiazole;4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)thiazole;4,5-BMTT;itazigrel;U 53059;U-53,059

Suppliers and Price of Itazigrel

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
4,5-BIS(4-METHOXYPHENYL)-2-(TRIFLUOROMETHYL)-1,3-THIAZOLE 95.00%
5MG
$ 497.54

Total 4 raw suppliers

Chemical Property of Itazigrel

Chemical Property:

Vapor Pressure:2.96E-06mmHg at 25°C
Boiling Point:400.3°C at 760 mmHg
Flash Point:195.9°C
PSA：59.59000
Density:1.285g/cm³
LogP:5.51310
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:365.06973435
Heavy Atom Count:25
Complexity:421

Purity/Quality:

97% ^*data from raw suppliers

4,5-BIS(4-METHOXYPHENYL)-2-(TRIFLUOROMETHYL)-1,3-THIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C2=C(SC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC
Uses Platelet aggregation inhibitor.

Technology Process of Itazigrel

There total 3 articles about Itazigrel 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: 34.0%

: 15857-57-5
tetraphosphorus decasulfide

: 354-38-1
2,2,2-trifluoroacetamide

: 70529-35-0
4,5 bis(4 methoxyphenyl) 2 (trifluoromethyl)thiazole

Guidance literature:: In benzene; reflux, 96h;

Reference yield:

: 27895-95-0
2-bromo-1,2-bis(4-methoxyphenyl)ethanone

: 421-52-3
trifluorothioacetamide

: 70529-35-0
4,5 bis(4 methoxyphenyl) 2 (trifluoromethyl)thiazole

Guidance literature:: With hydrogenchloride; Yield given. Multistep reaction; 1.) benzene, reflux, 1 h, 2.) benzene, reflux, 1 h;
DOI:10.1021/jm00144a026