Urea, N-cycloheptyl-N-((4-(4-fluorophenoxy)phenyl)methyl)-N'-(6-methyl-2,4-bis(methylthio)-3-pyridinyl)-

Base Information

Chemical Name:Urea, N-cycloheptyl-N-((4-(4-fluorophenoxy)phenyl)methyl)-N'-(6-methyl-2,4-bis(methylthio)-3-pyridinyl)-
CAS No.:179054-51-4
Molecular Formula:C₂₉H₃₄FN₃O₂S₂
Molecular Weight:539.738
Hs Code.:
UNII:E1N4V0B0BN
Wikidata:Q27276752
ChEMBL ID:CHEMBL77842

Synonyms:FR-182980;179054-51-4;UNII-E1N4V0B0BN;E1N4V0B0BN;CHEMBL77842;Urea, N-cycloheptyl-N-((4-(4-fluorophenoxy)phenyl)methyl)-N'-(6-methyl-2,4-bis(methylthio)-3-pyridinyl)-;SCHEMBL8809049;VRCLMLMEOKXRHL-UHFFFAOYSA-N;BDBM50065027;AKOS040751860;Q27276752;1-cycloheptyl-1-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]urea;1-Cycloheptyl-1-[4-(4-fluoro-phenoxy)-benzyl]-3-(6-methyl-2,4-bis-methylsulfanyl-pyridin-3-yl)-urea

Suppliers and Price of Urea, N-cycloheptyl-N-((4-(4-fluorophenoxy)phenyl)methyl)-N'-(6-methyl-2,4-bis(methylthio)-3-pyridinyl)-

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

Total 1 raw suppliers

Chemical Property of Urea, N-cycloheptyl-N-((4-(4-fluorophenoxy)phenyl)methyl)-N'-(6-methyl-2,4-bis(methylthio)-3-pyridinyl)-

Chemical Property:

XLogP3:7.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:539.20764784
Heavy Atom Count:37
Complexity:680

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=N1)SC)NC(=O)N(CC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C4CCCCCC4)SC

Technology Process of Urea, N-cycloheptyl-N-((4-(4-fluorophenoxy)phenyl)methyl)-N'-(6-methyl-2,4-bis(methylthio)-3-pyridinyl)-

There total 5 articles about Urea, N-cycloheptyl-N-((4-(4-fluorophenoxy)phenyl)methyl)-N'-(6-methyl-2,4-bis(methylthio)-3-pyridinyl)- 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%

: 166253-17-4
phenyl N-[2,4-bis(methylthio)-6-methylpyridin-3-yl]carbamate

: 179055-52-8
N-cycloheptyl-4-(4-fluorophenoxy)benzylamine

: 179054-51-4
1-cycloheptyl-1-[4-(4-fluoro-phenoxy)-benzyl]-3-(6-methyl-2,4-bis-methylsulfanyl-pyridin-3-yl)-urea

Guidance literature:: With triethylamine; In toluene; for 4h; Heating;
DOI:10.1016/S0968-0896(97)10009-8

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 179054-51-4
1-cycloheptyl-1-[4-(4-fluoro-phenoxy)-benzyl]-3-(6-methyl-2,4-bis-methylsulfanyl-pyridin-3-yl)-urea

Guidance literature:: Multi-step reaction with 4 steps

1: 89 percent / K₂CO₃ / dimethylformamide / 8 h / 150 °C

2: 5 h / 120 °C

3: 21.9 g / NaBH₄ / ethanol / 1.5 h / 20 °C

4: 90 percent / Et₃N / toluene / 4 h / Heating

With sodium tetrahydroborate; potassium carbonate; triethylamine; In ethanol; N,N-dimethyl-formamide; toluene; 1: Substitution / 2: Condensation / 3: Reduction / 4: Condensation;
DOI:10.1016/S0968-0896(97)10009-8

Reference yield:

: 134991-79-0
3-amino-2,4-bis(methylthio)-6-methyl-pyridine

: 179054-51-4
1-cycloheptyl-1-[4-(4-fluoro-phenoxy)-benzyl]-3-(6-methyl-2,4-bis-methylsulfanyl-pyridin-3-yl)-urea

Guidance literature:: Multi-step reaction with 2 steps

1: N,N-dimethylaniline / CH₂Cl₂ / 4 h / 20 °C

2: 90 percent / Et₃N / toluene / 4 h / Heating

With N,N-dimethyl-aniline; triethylamine; In dichloromethane; toluene; 1: Acylation / 2: Condensation;
DOI:10.1016/S0968-0896(97)10009-8