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

Base Information

• Chemical Name: N-Cyclohexyl-N'-(4,5-dimethyl-2-thiazolyl)-N''-(2-methyl-4-quinolinyl)guanidine
• CAS No.: 71079-21-5
• Molecular Formula: C₂₂H₂₇N₅S
• Molecular Weight: 393.556
• DSSTox Substance ID: DTXSID00991368
• ChEMBL ID: CHEMBL293739
• Mol file: 71079-21-5.mol

Synonyms:BRN 5630112;71079-21-5;N-Cyclohexyl-N'-(4,5-dimethyl-2-thiazolyl)-N''-(2-methyl-4-quinolinyl)guanidine;Guanidine, 1-cyclohexyl-3,(4,5-dimethyl-2-thiazolyl)-2-(2-methyl-4-quinolyl)-;Guanidine, N-cyclohexyl-N'-(4,5-dimethyl-2-thiazolyl)-N''-(2-methyl-4-quinolinyl)-;CHEMBL293739;DTXSID00991368;LS-73505;N''-Cyclohexyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(2-methylquinolin-4(1H)-ylidene)guanidine

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

Chemical Property:

• Vapor Pressure: 8.22E-13mmHg at 25°C
• Boiling Point: 565.6°Cat760mmHg
• Flash Point: 295.8°C
• Density: 1.27g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 393.19871706
• Heavy Atom Count: 28
• Complexity: 535

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=NC(=C(S4)C)C

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

There total 3 articles about N-Cyclohexyl-N'-(4,5-dimethyl-2-thiazolyl)-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: 47.0%

4,5-dimethyl-1,3-thiazole-2-amine (2289-75-0) + N1-cyclohexyl-N2-(2-methyl-4-quinolyl)carbodiimide (71079-18-0) → N-cyclohexyl-N'-(4,5-dimethyl-thiazol-2-yl)-N''-(2-methyl-quinolin-4-yl)-guanidine (71079-21-5)

Guidance literature:

for 0.5h; Heating;

DOI:10.1021/jm00175a004

Reference yield:

N-cyclohexyl-N'-4-(2-methylquinolyl)urea (71070-70-7) → N-cyclohexyl-N'-(4,5-dimethyl-thiazol-2-yl)-N''-(2-methyl-quinolin-4-yl)-guanidine (71079-21-5)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 47 percent / 0.5 h / Heating

With triethylamine; triphenylphosphine; In tetrachloromethane; dichloromethane;

DOI:10.1021/jm00175a004

Reference yield:

→ N-cyclohexyl-N'-(4,5-dimethyl-thiazol-2-yl)-N''-(2-methyl-quinolin-4-yl)-guanidine (71079-21-5)

Guidance literature:

4,5-Dimethylthiazolylamin, entspr. Carbodiimid;

upstream raw materials:

4,5-dimethyl-1,3-thiazole-2-amine

N¹-cyclohexyl-N²-(2-methyl-4-quinolyl)carbodiimide

N-cyclohexyl-N'-4-(2-methylquinolyl)urea