N,N'-Dimethyl-2-nitro-1,1-ethenediamine

Base Information

• Chemical Name: N,N'-Dimethyl-2-nitro-1,1-ethenediamine
• CAS No.: 54252-45-8
• Molecular Formula: C4H9N3O2
• Molecular Weight: 131.134
• European Community (EC) Number: 641-813-6
• UNII: X2PTM6CJ26
• DSSTox Substance ID: DTXSID80495172
• Nikkaji Number: J370.372J
• Mol file: 54252-45-8.mol

Synonyms:N,N'-dimethyl-2-nitro-1,1-ethenediamine;NN-DMNEDA

Chemical Property of N,N'-Dimethyl-2-nitro-1,1-ethenediamine

Chemical Property:

• Melting Point: >207°C (dec.)
• PSA: 69.88000
• LogP: 0.80580
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 131.069476538
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

> 95% ^*data from raw suppliers

N,N''-Dimethyl-2-nitro-1,1-ethenediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=C[N+](=O)[O-])NC
• Uses: N,N'-Dimethyl-2-nitro-1,1-ethenediamine is an impurity of the histamine H2-receptor antagonist Nizatidine (N598500) and Ranitidine (R120000). N,N''-Dimethyl-2-nitro-1,1-ethenediamine is an impurity of the histamine H2-receptor antagonist Nizatidine (N598500) and Ranitidine (R120000).

Technology Process of N,N'-Dimethyl-2-nitro-1,1-ethenediamine

There total 3 articles about N,N'-Dimethyl-2-nitro-1,1-ethenediamine 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: 67.0%

methylamine (74-89-5) + 1,1-di(methylsulfanyl)-2-nitroethylene (13623-94-4) → N,N'-dimethyl-2-nitro-1,1-ethenediamine (54252-45-8)

Guidance literature:

In ethanol; at 50 ℃; for 3h;

DOI:10.1016/0040-4020(82)80236-6

Reference yield:

methylamine (74-89-5) + 1,1-di(methylsulfanyl)-2-nitroethylene (13623-94-4) → N,N'-dimethyl-2-nitro-1,1-ethenediamine (54252-45-8) + 2-methylamino-2-methylthio-1-nitroethene (102721-76-6,61832-41-5)

Guidance literature:

In methanol; for 18h; Mechanism; Product distribution; Ambient temperature; other solvents, times, temperatures;

Reference yield:

2-methylamino-2-methylthio-1-nitroethene (102721-76-6,61832-41-5) + methylamine (74-89-5) → N,N'-dimethyl-2-nitro-1,1-ethenediamine (54252-45-8)

Guidance literature:

In methanol; for 0.166667h; Mechanism; Product distribution; Ambient temperature; other time, temperature;

upstream raw materials:

methylamine

1,1-di(methylsulfanyl)-2-nitroethylene

2-methylamino-2-methylthio-1-nitroethene

Downstream raw materials:

3,3-bis-methylamino-2-nitro-N-phenyl-thioacrylamide

(E)-N-(3,3-Bis-methylamino-2-nitro-thioacryloyl)-3-(4-methoxy-phenyl)-acrylamide

(E)-N-(3,3-Bis-methylamino-2-nitro-thioacryloyl)-3-phenyl-acrylamide

C₁₀H₁₃N₅O₂

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