1-(3,4-Dichlorophenyl)-3-ethylguanidine

Base Information

• Chemical Name: 1-(3,4-Dichlorophenyl)-3-ethylguanidine
• CAS No.: 17826-33-4
• Molecular Formula: C9H11Cl2N3
• Molecular Weight: 232.112
• DSSTox Substance ID: DTXSID90170448
• Mol file: 17826-33-4.mol

Synonyms:Bayer 78658;17826-33-4;BAY 78658;1-(3,4-Dichlorophenyl)-3-ethylguanidine;Guanidine, N-(3,4-dichlorophenyl)-N'-ethyl-;GUANIDINE, 1-(3,4-DICHLOROPHENYL)-3-ETHYL-;Guanidine, N-(3,4-dichlorophenyl)-N'-ethyl- (9CI);DTXSID90170448;AKOS011666488;LS-73553

Chemical Property of 1-(3,4-Dichlorophenyl)-3-ethylguanidine

Chemical Property:

• Vapor Pressure: 9.84E-05mmHg at 25°C
• Boiling Point: 338.4°C at 760 mmHg
• Flash Point: 158.5°C
• Density: 1.34g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 231.0330028
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN=C(N)NC1=CC(=C(C=C1)Cl)Cl

Technology Process of 1-(3,4-Dichlorophenyl)-3-ethylguanidine

There total 1 articles about 1-(3,4-Dichlorophenyl)-3-ethylguanidine 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: 76.0%

ethylamine (75-04-7,85404-22-4) + 1-(3,4-dichlorophenyl)-2-methylisothiourea hydrogeniodide (57005-11-5) → N-ethyl-N'-(3,4-dichlorophenyl)-guanidine (17826-33-4)

Guidance literature:

ethylamine; 1-(3,4-dichlorophenyl)-2-methylisothiourea hydrogeniodide; In methanol; at 80 - 100 ℃; for 18h; Sealed tube;

With sodium carbonate; In water; Saturated solution;

DOI:10.1016/j.bmc.2010.12.028

Reference yield: 26.0%

1-isopropyl-2-methylsulfanyl-1H-imidazole-4,5-dione (857672-28-7) + N-ethyl-N'-(3,4-dichlorophenyl)-guanidine (17826-33-4) → N-(3,4-dichloro-phenyl)-N'-(1-isopropyl-4,5-dioxo-4,5-dihydro-1H-imidazol-2-yl)-N''-ethylguanidine (1224570-53-9)

Guidance literature:

In chloroform; at 100 ℃; Sealed tube;

DOI:10.1016/j.bmc.2010.12.028

upstream raw materials:

ethylamine

1-(3,4-dichlorophenyl)-2-methylisothiourea hydrogeniodide

Downstream raw materials:

N-(3,4-dichloro-phenyl)-N'-(1-isopropyl-4,5-dioxo-4,5-dihydro-1H-imidazol-2-yl)-N''-ethylguanidine

Refernces