N-(3,4-dimethylphenyl)guanidine

Base Information

• Chemical Name: N-(3,4-dimethylphenyl)guanidine
• CAS No.: 57361-54-3
• Molecular Formula: C₉H₁₃N₃
• Molecular Weight: 163.222
• DSSTox Substance ID: DTXSID40444626
• ChEMBL ID: CHEMBL443320
• Mol file: 57361-54-3.mol

Synonyms:N-(3,4-dimethylphenyl)guanidine;57361-54-3;2-(3,4-dimethylphenyl)guanidine;1-(3,4-dimethylphenyl)guanidine;n-(3,4-dimethyl-phenyl)-guanidine;CHEMBL443320;SCHEMBL1186288;DTXSID40444626;AKOS011665347;CS-0281475;EN300-236614;F2158-0688

Chemical Property of N-(3,4-dimethylphenyl)guanidine

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.110947427
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N=C(N)N)C

Technology Process of N-(3,4-dimethylphenyl)guanidine

There total 3 articles about N-(3,4-dimethylphenyl)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: 93.0%

N,N-di(benzyloxycarbonyl)-3,4-dimethylphenyl guanidine → 1-guanidino-3,4-dimethylbenzene (57361-54-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; for 7h; under 2585.7 Torr;

DOI:10.1080/00397919608003629

Reference yield:

4-amino-o-xylene (95-64-7) → 1-guanidino-3,4-dimethylbenzene (57361-54-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / triethylamine, HgCl₂ / dimethylformamide / 3 h / 23 °C

2: 93 percent / H₂ / 10percent Pd on carbon / tetrahydrofuran; methanol / 7 h / 2585.7 Torr

With hydrogen; triethylamine; mercury dichloride; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

DOI:10.1080/00397919608003629

Reference yield:

CYANAMID (420-04-2) + 3,4-dimethylaniline hydrochloride (7356-54-9) → 1-guanidino-3,4-dimethylbenzene (57361-54-3)

Guidance literature:

With ethanol;

DOI:10.1039/jr9460001063

upstream raw materials:

CYANAMID

3,4-dimethylaniline hydrochloride

4-amino-o-xylene