1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea

Base Information

Chemical Name:1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea
CAS No.:1313019-65-6
Molecular Formula:C21H13ClF3N3O2
Molecular Weight:431.801
Hs Code.:
European Community (EC) Number:806-020-3
ChEMBL ID:CHEMBL1796725

Synonyms:SC-1;STAT3-IN-7;1313019-65-6;1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-cyanophenoxy)phenyl]urea;CHEMBL1796725;SCHEMBL15746582;HVPZDXDXIQZKHU-UHFFFAOYSA-N;EX-A4580;AKOS032470290;HY-136658;CS-0132872;E73479;F9994-5394;3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-cyanophenoxy)phenyl]urea

Suppliers and Price of 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea

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

Sigma-Aldrich
SC-1 ≥98% (HPLC)
25mg
$ 351.00

Sigma-Aldrich
SC-1 ≥98% (HPLC)
5mg
$ 86.50

Total 1 raw suppliers

Chemical Property of 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea

Chemical Property:

PSA：74.15000
LogP:6.81278
Storage Temp.:2-8°C
Solubility.:DMSO: soluble15mg/mL, clear
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:431.0648388
Heavy Atom Count:30
Complexity:623

Purity/Quality:

98% ^*data from raw suppliers

SC-1 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Technology Process of 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea

There total 2 articles about 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea 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: 90.0%

: 1313019-65-6
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[4-(4-cyanophenoxy)phenyl]-urea

Guidance literature:: In dichloromethane; at 0 ℃; for 17h; Inert atmosphere;

Reference yield: 80.0%

: 32315-10-9
bis(trichloromethyl) carbonate

: 17076-69-6
4-amino-4'-cyanodiphenyl ether

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

: 1313019-65-6
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[4-(4-cyanophenoxy)phenyl]-urea

Guidance literature:: bis(trichloromethyl) carbonate; 4-chloro-3-trifluoromethyl-aniline; With triethylamine; In tetrahydrofuran; at 50 ℃; for 0.5h;

4-amino-4'-cyanodiphenyl ether; In tetrahydrofuran; at 50 ℃; for 0.5h;
DOI:10.1016/j.ejmech.2011.04.007