N-Cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)guanidine

Base Information

Chemical Name:N-Cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)guanidine
CAS No.:71079-30-6
Molecular Formula:C₂₂H₂₇N₅O
Molecular Weight:377.489
Hs Code.:
DSSTox Substance ID:DTXSID90991372
ChEMBL ID:CHEMBL291837
Mol file:71079-30-6.mol

Synonyms:BRN 5630232;71079-30-6;N-Cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)guanidine;Guanidine, 1-cyclohexyl-3-(3,5-dimethyl-4-isoxazol-4-yl)-2-(2-methyl-4-quinolyl)-;Guanidine, N-cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)-;CHEMBL291837;DTXSID90991372;LS-73503;1-Cyclohexyl-3-(3,5-dimethylisoxazol-4-yl)-2-(2-methylquinolin-4-yl)guanidine;N''-Cyclohexyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2-methylquinolin-4(1H)-ylidene)guanidine

Suppliers and Price of N-Cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)guanidine

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 2 raw suppliers

Chemical Property of N-Cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)guanidine

Chemical Property:

Vapor Pressure:9.66E-12mmHg at 25°C
Boiling Point:540.3°C at 760 mmHg
Flash Point:280.6°C
PSA：65.01000
Density:1.25g/cm³
LogP:4.09260
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:377.22156050
Heavy Atom Count:28
Complexity:535

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=C(ON=C4C)C

Technology Process of N-Cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)guanidine

There total 3 articles about N-Cyclohexyl-N'-(3,5-dimethyl-4-isoxazolyl)-N''-(2-methyl-4-quinolinyl)guanidine 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: 78.0%

: 31329-64-3
3,5-dimethylisoxazol-4-amine

: 71079-18-0
N¹-cyclohexyl-N²-(2-methyl-4-quinolyl)carbodiimide

: 71079-30-6
N-Cyclohexyl-N'-(3,5-dimethyl-isoxazol-4-yl)-N''-(2-methyl-quinolin-4-yl)-guanidine

Guidance literature:: for 0.5h; Heating;
DOI:10.1021/jm00175a004

Reference yield:

: 71070-70-7
N-cyclohexyl-N'-4-(2-methylquinolyl)urea

: 71079-30-6
N-Cyclohexyl-N'-(3,5-dimethyl-isoxazol-4-yl)-N''-(2-methyl-quinolin-4-yl)-guanidine

Guidance literature:: Multi-step reaction with 2 steps

1: Ph₃P, Et₃N / CCl₄; CH₂Cl₂ / 2 h / Heating

2: 78 percent / 0.5 h / Heating

With triethylamine; triphenylphosphine; In tetrachloromethane; dichloromethane;
DOI:10.1021/jm00175a004