Methyl(acetoxymethyl)nitrosamine

Base Information

• Chemical Name: Methyl(acetoxymethyl)nitrosamine
• CAS No.: 56856-83-8
• Molecular Formula: C4H8 N2 O3
• Molecular Weight: 132.119
• DSSTox Substance ID: DTXSID50205386
• Nikkaji Number: J71.017B
• Wikidata: Q83078954
• ChEMBL ID: CHEMBL164936
• Mol file: 56856-83-8.mol

Synonyms:1-(N-methyl-N-nitrosamino)methylacetate;acetoxymethyl-methyl-nitrosamine;acetoxymethyl-methylnitrosamine;alpha-acetoxy-N-nitrosodimethylurea;dimethylnitrosamine-O-acetate;DMN-OAc;methyl(acetoxymethyl)nitrosamine;methyl(acetoxymethyl)nitrosamine, methanol-14C-labeled;N-nitroso(acetoxymethyl)methylamine;N-nitrosomethylacetoxymethylamine;NDMAOAc;nitrosoacetoxymethylmethylamine

Chemical Property of Methyl(acetoxymethyl)nitrosamine

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 238.6 °C at 760 mmHg
• Flash Point: 98.1 °C
• PSA: 58.97000
• Density: 1.18 g/cm³
• LogP: 0.12020
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 132.05349212
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

NITROSO(ACETOXYMETHYL)METHYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCN(C)N=O

Technology Process of Methyl(acetoxymethyl)nitrosamine

There total 5 articles about Methyl(acetoxymethyl)nitrosamine 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-Chlormethyl-N-nitrosomethylamin (57629-91-1) + silver(I) acetate (563-63-3) → N-Acetoxymethyl-N-nitrosomethylamine (56856-83-8)

Guidance literature:

DOI:10.1016/S0040-4039(00)75182-3

Reference yield:

N-Nitroso-N-methylmethoxymethylamine (39885-14-8) + acetic anhydride (108-24-7) → N-Acetoxymethyl-N-nitrosomethylamine (56856-83-8)

Guidance literature:

With boron trifluoride diethyl etherate;

DOI:10.1016/S0040-4039(00)75182-3

Reference yield:

N-methyl-N-(hydroxymethyl)nitrosamine (58840-25-8) + acetic anhydride (108-24-7) → N-Acetoxymethyl-N-nitrosomethylamine (56856-83-8)

Guidance literature:

In pyridine; for 0.5h; Yield given; Ambient temperature;

DOI:10.1016/S0040-4039(00)78747-8

upstream raw materials:

N-Chlormethyl-N-nitrosomethylamin

silver(I) acetate

N-Nitroso-N-methylmethoxymethylamine

acetic anhydride

Downstream raw materials:

N-methyl-N-(hydroperoxymethyl)nitrosamine

<2H1>methan<2H>ol

deuteromethanol

d⁽⁴⁾-methanol