N,N''-Bis(4-ethylphenyl)guanidine

Base Information

• Chemical Name: N,N''-Bis(4-ethylphenyl)guanidine
• CAS No.: 128413-47-8
• Molecular Formula: C17H21N3
• Molecular Weight: 267.374
• UNII: ECZ9UAY336
• ChEMBL ID: CHEMBL78083
• DSSTox Substance ID: DTXSID70563854
• Nikkaji Number: J343.564D
• Pharos Ligand ID: KTVQWK2CFDAC

Synonyms:128413-47-8;CHEMBL78083;Guanidine, N,N'-bis(4-ethylphenyl)-;1,3-Bis(4-ethylphenyl)guanidine;N,N''-Bis(4-ethylphenyl)guanidine;N,N'-Bis-(4-ethyl-phenyl)-guanidine;ECZ9UAY336;SCHEMBL6155127;SCHEMBL10825147;DTXSID70563854;N,N'-Bis(4-ethylphenyl)guanidine;BDBM50010736;N,N''-Bis-(4-ethyl-phenyl)-guanidine

Chemical Property of N,N''-Bis(4-ethylphenyl)guanidine

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 267.173547683
• Heavy Atom Count: 20
• Complexity: 297

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)CC)N

Technology Process of N,N''-Bis(4-ethylphenyl)guanidine

There total 3 articles about N,N''-Bis(4-ethylphenyl)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: 41.0%

4-ethyl-1-iodobenzene (25309-64-2) + guanidine nitrate (506-93-4) → N,N'-bis(4-ethylphenyl)-Guanidine (128413-47-8)

Guidance literature:

With potassium phosphate; copper(l) iodide; N,N-diethylsalicylamide; In toluene; at 80 ℃; Inert atmosphere;

DOI:10.1021/ol1002175

Reference yield: 38.0%

bromocyane (506-68-3) + 4-aminoethylbenzene (589-16-2) → N,N'-bis(4-ethylphenyl)-Guanidine (128413-47-8)

Guidance literature:

In ethanol; at 150 ℃; for 0.5h;

DOI:10.1021/jm00171a016

Reference yield:

N,N'-bis-(4-ethyl-phenyl)-thiourea (89573-81-9) → N,N'-bis(4-ethylphenyl)-Guanidine (128413-47-8)

Guidance literature:

With ethanol; ammonia; lead(II) oxide;

upstream raw materials:

N,N'-bis-(4-ethyl-phenyl)-thiourea

bromocyane

4-aminoethylbenzene

4-ethyl-1-iodobenzene

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