Methylnitramine

Base Information

• Chemical Name: Methylnitramine
• CAS No.: 598-57-2
• Molecular Formula: CH4 N2 O2
• Molecular Weight: 76.055
• NSC Number: 244788,244787,137855
• UNII: EWW679VJW2
• DSSTox Substance ID: DTXSID9020879
• Wikidata: Q81983634
• ChEMBL ID: CHEMBL405641
• Mol file: 598-57-2.mol

Synonyms:N-nitromethylamine;NTDMA

Chemical Property of Methylnitramine

Chemical Property:

• Melting Point: 38°C
• Refractive Index: 1.4616 (estimate)
• Boiling Point: 155.2°Cat760mmHg
• PKA: 6.51±0.10(Predicted)
• Flash Point: 47.6°C
• PSA: 57.85000
• Density: 1.236g/cm³
• LogP: 0.31160
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 76.027277375
• Heavy Atom Count: 5
• Complexity: 37.4

Purity/Quality:

99%, ^*data from raw suppliers

METHYL(NITRO)AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN[N+](=O)[O-]

Technology Process of Methylnitramine

There total 39 articles about Methylnitramine 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: 89.2%

N,N'-Dimethylurea (96-31-1) → methylnitroamine (598-57-2)

Guidance literature:

N,N'-Dimethylurea; With sulfuric acid; nitric acid; In dichloromethane; at -5 - 0 ℃;

In water; at 20 ℃; for 1h; Temperature;

Reference yield: 65.0%

sodium ethanolate (141-52-6) + 1-phenyl-3-(methylnitroamino)-2-propen-1-one (99647-88-8) → 3-Oxo-3-phenylpropanal 1-(diethylacetal) (36234-10-3) + methylnitroamine (598-57-2)

Guidance literature:

In ethanol; at 35 - 40 ℃; for 3h;

Reference yield:

C9H10N2O4 (97661-72-8) → methylnitroamine (598-57-2) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

With water; sulfuric acid; at 25 ℃; Rate constant; Mechanism; Kinetics; ΔS(excit.);

upstream raw materials:

diazomethane

nitrourea

ethyl N,N-dimethylcarbamate

methyl-nitro-carbamic acid methyl ester

Downstream raw materials:

2,4-dinitro-2,4-diazapentane

N-Methyl-N-nitrobenzylamine

1-hydroxy-2-nitro-2-azapropane

1-acetoxy-2-nitro-2-azapropane

Refernces

• 1、 Zharkov, Mikhail N.,Kuchurov, Ilya V.,Fomenkov, Igor V.,Tartakovsky, Vladimir A.,Fedyanin, Ivan V.,Zlotin, Sergei G.. "Safe and Convenient Synthesis of Primary N -Nitramines in the Freon Media". supporting information. p. 1103 - 1108. Retrieved 2017/02/24.
• 2、 Challis, Brian C.,Rosa, Eduarda,Iley, Jim,Norberto, Fatima. "Kinetics and Mechanism of the Hydrolysis of N-Methyl-N-nitroamides in Aqueous Sulphuric Acid". . p. 179 - 183. Retrieved 2007/10/02.