N-Cyclohexyl-N'-(3-methyl-5-isothiazolyl)-N''-(2-methyl-4-quinolinyl)guanidine

Base Information

Chemical Name:N-Cyclohexyl-N'-(3-methyl-5-isothiazolyl)-N''-(2-methyl-4-quinolinyl)guanidine
CAS No.:71079-27-1
Molecular Formula:C21H25N5S
Molecular Weight:379.5217
Hs Code.:
DSSTox Substance ID:DTXSID70991370
ChEMBL ID:CHEMBL263176

Synonyms:BRN 5626782;N-Cyclohexyl-N'-(3-methyl-5-isothiazolyl)-N''-(2-methyl-4-quinolinyl)guanidine;71079-27-1;Guanidine, 1-cyclohexyl-2-(2-methyl-4-quinolyl)-3-(3-methyl-5-isothiazolyl)-;Guanidine, N-cyclohexyl-N'-(3-methyl-5-isothiazolyl)-N''-(2-methyl-4-quinolinyl)-;CHEMBL263176;DTXSID70991370;LS-73509;N''-Cyclohexyl-N-(2-methylquinolin-4(1H)-ylidene)-N'-(3-methyl-1,2-thiazol-5-yl)guanidine

Suppliers and Price of N-Cyclohexyl-N'-(3-methyl-5-isothiazolyl)-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:

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

Chemical Property:

Vapor Pressure:1.05E-09mmHg at 25°C
Boiling Point:488.9°Cat760mmHg
Flash Point:249.5°C
Density:1.29g/cm³
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:379.18306699
Heavy Atom Count:27
Complexity:507

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=CC(=NS4)C

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

There total 3 articles about N-Cyclohexyl-N'-(3-methyl-5-isothiazolyl)-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: 32.0%

: 24340-76-9
3-methyl-5-aminothiazole

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

: 71079-27-1
N-cyclohexyl-N'-(3-methyl-isothiazol-5-yl)-N''-(2-methyl-quinolin-4-yl)-guanidine

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; Ambient temperature;
DOI:10.1021/jm00175a004

Reference yield:

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

: 71079-27-1
N-cyclohexyl-N'-(3-methyl-isothiazol-5-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: 32 percent / NaH / dimethylformamide / Ambient temperature

With sodium hydride; triethylamine; triphenylphosphine; In tetrachloromethane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00175a004