Wnk-IN-3

Base Information

Chemical Name:Wnk-IN-3
CAS No.:853298-47-2
Molecular Formula:C27H32F3N7O2
Molecular Weight:543.592
Hs Code.:
DSSTox Substance ID:DTXSID501103343

Synonyms:WNK-IN-3;853298-47-2;1-[4-(4-Isopropyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-3-[4-(2-methylamino-pyrimidin-4-yloxy)-phenyl]-urea;Urea, N-[4-[[2-(methylamino)-4-pyrimidinyl]oxy]phenyl]-N'-[4-[[4-(1-methylethyl)-1-piperazinyl]methyl]-3-(trifluoromethyl)phenyl]-;SCHEMBL4936330;TZKBNGYRAFKRJC-UHFFFAOYSA-N;DTXSID501103343;AKOS040749795;1-[4-[2-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;N-[4-[[2-(Methylamino)-4-pyrimidinyl]oxy]phenyl]-N'-[4-[[4-(1-methylethyl)-1-piperazinyl]methyl]-3-(trifluoromethyl)phenyl]urea

Suppliers and Price of Wnk-IN-3

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
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price

Total 0 raw suppliers

Chemical Property of Wnk-IN-3

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:543.25695778
Heavy Atom Count:39
Complexity:758

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)N1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)NC)C(F)(F)F

Technology Process of Wnk-IN-3

There total 5 articles about Wnk-IN-3 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:

: 853298-48-3
[4-(4-amino-phenoxy)-pyrimidin-2-yl]-methyl-amine

: 32315-10-9
bis(trichloromethyl) carbonate

: 853297-06-0
4-(4-isopropyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenylamine

: 853298-47-2
N-[4-(2-methylamino-pyrimidin-4-yloxy)-phenyl]-N'-[4-(4-isopropylpiperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-urea

Guidance literature:: bis(trichloromethyl) carbonate; 4-(4-isopropyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenylamine; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 0.666667h;

[4-(4-amino-phenoxy)-pyrimidin-2-yl]-methyl-amine; In dichloromethane; at 20 ℃; for 1.58333h;

Reference yield:

: 2-chloro-4-(4-nitro-phenoxy)-pyrimidine

: 853298-47-2
N-[4-(2-methylamino-pyrimidin-4-yloxy)-phenyl]-N'-[4-(4-isopropylpiperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-urea

Guidance literature:: Multi-step reaction with 3 steps

1.1: ethanol / 0.83 h / 20 °C

2.1: hydrogen / nickel

3.1: triethylamine / dichloromethane / 0.67 h / 0 - 20 °C

3.2: 1.58 h / 20 °C

With hydrogen; triethylamine; nickel; In ethanol; dichloromethane;

Reference yield:

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 853298-47-2
N-[4-(2-methylamino-pyrimidin-4-yloxy)-phenyl]-N'-[4-(4-isopropylpiperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-urea

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydroxide / water; acetone / 23 h / 0 - 80 °C

2.1: ethanol / 0.83 h / 20 °C

3.1: hydrogen / nickel

4.1: triethylamine / dichloromethane / 0.67 h / 0 - 20 °C

4.2: 1.58 h / 20 °C

With sodium hydroxide; hydrogen; triethylamine; nickel; In ethanol; dichloromethane; water; acetone;