5-Thiazolecarboxylic acid, 2-(((cyclohexylamino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester

Base Information

Chemical Name:5-Thiazolecarboxylic acid, 2-(((cyclohexylamino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester
CAS No.:71079-23-7
Molecular Formula:C₂₃H₂₇N₅O₂S
Molecular Weight:437.566
Hs Code.:
DSSTox Substance ID:DTXSID10221284
ChEMBL ID:CHEMBL291966

Synonyms:BRN 5658013;5-Thiazolecarboxylic acid, 2-(((cyclohexylamino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester;5-Thiazolecarboxylic acid, 2-(3-cyclohexyl-2-(2-methyl-4-quinolyl)guanidino)-, ethyl ester;Ethyl 2-((N-cyclohexyl-N'-(2-methylquinolyl)amidino)amino)-5-thiazolecarboxylate;71079-23-7;CHEMBL291966;DTXSID10221284;LS-150867

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Chemical Property of 5-Thiazolecarboxylic acid, 2-(((cyclohexylamino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester

Chemical Property:

Vapor Pressure:3.02E-14mmHg at 25°C
Boiling Point:597.6°Cat760mmHg
Flash Point:315.2°C
Density:1.33g/cm³
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:437.18854629
Heavy Atom Count:31
Complexity:627

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CN=C(S1)NC(=NC2CCCCC2)NC3=CC(=NC4=CC=CC=C43)C

Technology Process of 5-Thiazolecarboxylic acid, 2-(((cyclohexylamino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester

There total 3 articles about 5-Thiazolecarboxylic acid, 2-(((cyclohexylamino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester 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: 27.0%

: 32955-21-8
2-amino-thiazole-5-carboxylic acid ethyl ester

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

: 71079-23-7
2-[N'-cyclohexyl-N''-(2-methyl-quinolin-4-yl)-guanidino]-thiazole-5-carboxylic acid ethyl ester

Guidance literature:: In toluene; for 1h; Heating;
DOI:10.1021/jm00175a004

Reference yield:

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

: 71079-23-7
2-[N'-cyclohexyl-N''-(2-methyl-quinolin-4-yl)-guanidino]-thiazole-5-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

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

2: 27 percent / toluene / 1 h / Heating

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