1,1-Dimethylguanidine

Base Information

• Chemical Name: 1,1-Dimethylguanidine
• CAS No.: 6145-42-2
• Molecular Formula: C3H9 N3
• Molecular Weight: 87.1246
• DSSTox Substance ID: DTXSID60878702
• Nikkaji Number: J102.066H
• Wikidata: Q82860727
• Mol file: 6145-42-2.mol

Synonyms:1,1-dimethylguanidine;N,N-dimethylguanidine;N,N-dimethylguanidine monohydrochloride;N,N-dimethylguanidine sulfate;N,N-dimethylguanidine sulfate (2:1)

Chemical Property of 1,1-Dimethylguanidine

Chemical Property:

• Melting Point: 105 °C
• Boiling Point: 104.7±23.0 °C(Predicted)
• PKA: 14.54±0.70(Predicted)
• PSA: 53.11000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 0.24150
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 87.079647300
• Heavy Atom Count: 6
• Complexity: 57.1

Purity/Quality:

97% ^*data from raw suppliers

N,N-Dimethyl-guanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=N)N

Technology Process of 1,1-Dimethylguanidine

There total 2 articles about 1,1-Dimethylguanidine 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:

NCNMe2 (1467-79-4) + thiourea (17356-08-0) → 1,1-dimethyl-2-thiourea (6972-05-0) + N,N-Dimethyl-guanidine (6145-42-2)

Guidance literature:

With butan-1-ol;

Reference yield:

N,N-Dimethylhydrazine (57-14-7) → formic acid N',N'-dimethylhydrazide (3298-49-5) + N-Nitrosodimethylamine (62-75-9) + Tetramethyltetrazon (6130-87-6) + N,N-Dimethyl-guanidine (6145-42-2)

Guidance literature:

With dihydrogen peroxide; In water; at 60 ℃; for 0.0833333h; pH=7.5; Temperature; pH-value; Green chemistry;

DOI:10.1039/c5ra20481j

Reference yield: 90.0%

3-(1H-imidazol-1-yl)-1,3-diphenylprop-2-en-1-one (91860-00-3) + N,N-Dimethyl-guanidine (6145-42-2) → N,N-dimethyl-4,6-diphenylpyrimidin-2-amine (22114-29-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 12h;

DOI:10.1039/d1ra04319f

upstream raw materials:

NCNMe₂

thiourea

N,N-Dimethylhydrazine

Downstream raw materials:

6-amino-2-(dimethylamino)pyrimidin-4(3H)-one

4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile

2-dimethylamino-3H-pyrimidin-4-one

N'-(bis-benzyloxy-phosphoryl)-N,N-dimethyl-guanidine

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