N-Nitrosomethylvinylamine

Base Information

• Chemical Name: N-Nitrosomethylvinylamine
• CAS No.: 4549-40-0
• Molecular Formula: C3H6 N2 O
• Molecular Weight: 86.0934
• Hs Code.: 2928000090
• NSC Number: 137906
• UN Number: 2810,3082
• UNII: 4F13H2637M
• Nikkaji Number: J2.217I
• Wikidata: Q27155900
• NCI Thesaurus Code: C44419
• ChEMBL ID: CHEMBL163957
• Mol file: 4549-40-0.mol

Synonyms:N-nitroso-N-methylvinylamine;N-nitrosomethylvinylamine

Chemical Property of N-Nitrosomethylvinylamine

Chemical Property:

• Vapor Pressure: 3.63mmHg at 25°C
• Refractive Index: 1.5110 (estimate)
• Boiling Point: 151.6°Cat760mmHg
• Flash Point: 45.5°C
• PSA: 32.67000
• Density: 0.94g/cm³
• LogP: 0.74310
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 86.048012819
• Heavy Atom Count: 6
• Complexity: 61.8
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

N-Methyl-N-nitroso-ethenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: CN(C=C)N=O
• Uses: N-nitrosomethylvinylamine is used as a research chemical; no other uses were identified (IARC 1978, HSDB 2009). N-Methyl-N-nitroso-ethenamine is used as research reagent for base induced fragmentation to give aldehydes or ketones and smaller alkylnitrosamine

Technology Process of N-Nitrosomethylvinylamine

There total 2 articles about N-Nitrosomethylvinylamine 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:

N-(2-hydroxyethyl)-N-methyl-N-nitrosamine (26921-68-6) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-Nitrosodimethylamine (62-75-9) + methylvinylnitrosamine (4549-40-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; tert-butyl alcohol; for 72h; Rate constant; Product distribution; Kinetics; Heating; var. solvents and temp.;

DOI:10.1021/jo00146a003

Reference yield:

N-nitrosodiethanolamine (1116-54-7) → N-nitrosomorpholine (59-89-2) + N-Nitrosodimethylamine (62-75-9) + N-(2-hydroxyethyl)-N-methyl-N-nitrosamine (26921-68-6) + methylvinylnitrosamine (4549-40-0) + 2-hydroxyethylvinylnitrosamine (70501-88-1)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 67 ℃; Rate constant;

DOI:10.1021/jo00146a003

Reference yield: 98.0%

methanol (67-56-1) + methylvinylnitrosamine (4549-40-0) → N-Nitroso-N-methyl-1-methoxyethylamine (61738-05-4)

Guidance literature:

hydrogenchloride; In diethyl ether; at 0 ℃;

DOI:10.1021/jo01302a037

upstream raw materials:

N-nitrosodiethanolamine

N-(2-hydroxyethyl)-N-methyl-N-nitrosamine

Downstream raw materials:

N-Nitroso-N-methyl-1-methoxyethylamine

methyl(2-(cyclohexanon-2-yl)ethyl)nitrosamine

N-methyl-N-nitrosophenethylamine

methylhexylnitrosamine

Refernces