Phenylethylguanidine

Base Information

• Chemical Name: Phenylethylguanidine
• CAS No.: 538-69-2
• Molecular Formula: C9H13 N3
• Molecular Weight: 163.222
• DSSTox Substance ID: DTXSID30968588
• Mol file: 538-69-2.mol

Synonyms:Phenylethylguanidine;Phenethylaminoguanidine;Guanidine, (2-phenylethyl)-;GUANIDINE, PHENETHYLAMINO-;DTXSID30968588;AKOS006277944;LS-73858;2-(2-Phenylethyl)hydrazine-1-carboximidamide

Chemical Property of Phenylethylguanidine

Chemical Property:

• Vapor Pressure: 0.000252mmHg at 25°C
• Boiling Point: 355.2°Cat760mmHg
• Flash Point: 168.6°C
• PSA: 61.90000
• Density: 1.17g/cm³
• LogP: 1.90310
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.121846464
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

N-PHENETHYL-GUANIDINE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNN=C(N)N

Technology Process of Phenylethylguanidine

There total 11 articles about Phenylethylguanidine 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:

2-phenylethylguanidine hemisulfate (202401-38-5) → (2-phenylethyl)guanidine (538-69-2)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1080/09168451.2015.1010479

Reference yield:

phenethylamine (64-04-0) + 1H-pyrazole-1-carboximidamide hydrochloride (4023-02-3) → (2-phenylethyl)guanidine (538-69-2)

Guidance literature:

phenethylamine; 1H-pyrazole-1-carboximidamide hydrochloride; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

With sodium methylate; In methanol; at 20 ℃; for 0.5h;

DOI:10.1080/09168451.2015.1010479

Reference yield:

2-phenylethylamine hydrochloride (156-28-5) → (2-phenylethyl)guanidine (538-69-2)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. NaOH solution

With sodium hydroxide;

DOI:10.1021/ja01518a052

upstream raw materials:

phenformin

2-methylisothiourea sulphate

phenethylamine

3,5-dimethyl-1-pyrazolylformaminidium nitrate

Downstream raw materials:

1-(2-phenylethyl)-1-nitrosourea

Refernces

• 1、 Murai, Masatoshi,Habu, Sayako,Murakami, Sonomi,Ito, Takeshi,Miyoshi, Hideto. "Production of new amilorides as potent inhibitors of mitochondrial respiratory complex I". . p. 1061 - 1066. Retrieved 2015/10/05.
• 2、 Simon,Vvedenskiǐ,Rozovskaia,Agaranovich. "The synthesis and pharmacological evaluation of some derivatives of aralkyl-guanidines". . p. 11 - 14. Retrieved 2007/10/05.