N-Ethylguanidine

Base Information

• Chemical Name: N-Ethylguanidine
• CAS No.: 503-69-5
• Molecular Formula: C6H20N6O4S
• Molecular Weight: 87.1246
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID10198306
• Nikkaji Number: J238.962B
• Wikidata: Q27459943
• Mol file: 503-69-5.mol

Synonyms:N-ethylguanidine;N-ethylguanidine hydrochloride;N-ethylguanidine sulfate (1:1);N-ethylguanidine sulfate (2:1)

Chemical Property of N-Ethylguanidine

Chemical Property:

• Boiling Point: 186.2°Cat760mmHg
• PKA: 14.02±0.70(Predicted)
• Flash Point: 66.4°C
• PSA: 61.90000
• Density: g/cm³
• LogP: 0.68030
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 87.079647300
• Heavy Atom Count: 6
• Complexity: 53.1

Purity/Quality:

98%min ^*data from raw suppliers

1-Ethylguanidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN=C(N)N

Technology Process of N-Ethylguanidine

There total 16 articles about N-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: 92.0%

2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) + ethylamine (75-04-7,85404-22-4) → ethyl guanidine (503-69-5)

Guidance literature:

2-methylisothiourea sulphate; ethylamine; In water; at 20 ℃; for 16h; Reflux;

With barium(II) hydroxide; In water; at 50 ℃; for 1h;

DOI:10.1021/acs.joc.8b01710

Reference yield:

CYANAMID (420-04-2) + ethylamine (75-04-7,85404-22-4) → ethyl guanidine (503-69-5)

Guidance literature:

In water; toluene; at 40 ℃; for 0.00833333h; Time;

Reference yield:

C19H21N3O4 (1610517-90-2) → ethyl guanidine (503-69-5)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In tetrahydrofuran; ethanol; at 20 ℃; for 16h; under 760.051 Torr;

DOI:10.1016/j.bmcl.2014.04.068 DOI:10.1016/j.bmcl.2014.04.068

upstream raw materials:

calcium cyanamide

ethylammonium nitrate

nitrosoguanidine

ethylamine

Downstream raw materials:

C₇H₈F₃N₃O

ethirimol

2-ethylamino-4-hydroxy-6-methylpyrimidine

2-(ethylamino)-4,6-diphenylpyrimidine-5-carbonitrile

Refernces

• 1、 Wu, Yufeng,Zhou, Guangli,Meng, Qingwei,Tang, Xiaofei,Liu, Guangzhi,Yin, Hang,Zhao, Jingnan,Yang, Fan,Yu, Zongyi,Luo, Yi. "Visible Light-Induced Aerobic Epoxidation of α,β-Unsaturated Ketones Mediated by Amidines". . p. 13051 - 13062. Retrieved 2018/10/25.
• 2、 Blake, James F.,Gaudino, John J.,De Meese, Jason,Mohr, Peter,Chicarelli, Mark,Tian, Hongqi,Garrey, Rustam,Thomas, Allen,Siedem, Christopher S.,Welch, Michael B.,Kolakowski, Gabrielle,Kaus, Robert,Burkard, Michael,Martinson, Matthew,Chen, Huifen,Dean, Brian,Dudley, Danette A.,Gould, Stephen E.,Pacheco, Patricia,Shahidi-Latham, Sheerin,Wang, Weiru,West, Kristina,Yin, Jianping,Moffat, John,Schwarz, Jacob B.. "Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2". . p. 2635 - 2639. Retrieved 2015/02/19.