39603-54-8

Basic information

• Product Name: 2-oxopropyl-n-propylnitrosamine
• Synonyms: 2-oxopropyl-n-propylnitrosamine
• CAS NO: 39603-54-8
• Molecular Formula: C6H12N2O2
• Molecular Weight: 144.20
• Mol File: 39603-54-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 262.78°C (rough estimate)
• Flash Point: 112.4°C
• Appearance: /
• Density: 1.1804 (rough estimate)
• Vapor Pressure: 0.0111mmHg at 25°C
• Refractive Index: 1.4500 (estimate)
• CAS DataBase Reference: 2-oxopropyl-n-propylnitrosamine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-oxopropyl-n-propylnitrosamine(39603-54-8)
• EPA Substance Registry System: 2-oxopropyl-n-propylnitrosamine(39603-54-8)

Safety Data

• Hazardous Substances Data: 39603-54-8(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Synthetic Communications, 19, p. 215, 1989 DOI: 10.1080/00397918908050972

Safety Profile

Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Moderately toxic by subcutaneous route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES .

InChI:InChI=1/C6H12N2O2/c1-3-4-8(7-10)5-6(2)9/h3-5H2,1-2H3

Upstream product

• 41063-30-3 1-(n-propylamino)-2-propanol 
• 39603-53-7 N-nitroso-β-hydroxypropylpropylamine 
• 621-64-7 N-nitroso-N,N-dipropylamine 

Relevant articles and documents

OXIDATION OF β-HYDROXYNITROSAMINES TO β-KETONITROSAMINES WITH KMnO4-METAL.SO4-XH2O IN NON-AQUEOUS MEDIA

The oxidation of β-hydroxynitrosamines to the corresponding β-ketonitrosamine is reported.The reactions carried out in benzene or dichloromethane using powdered KMnO4-CuSO4.5H2O, or KMnO4-MgSO4.7H2O.Work-up of the reaction and purification of the product

Electrochemical Oxidation of N-Nitrosodialkylamines: Mechanism of N-Nitramine and β-Ketonitrosamine Formation

Electrochemical oxidation of N-nitrosamines (1) derived from symmetrical dialkylamines was investigated in acetonitrile in the presence of dissolved oxygen.On cyclic voltammetry at ambient temperature, 1 showed two or three irreversible anodic peaks, depending upon the structure.Macroscale electrolysis, either controlled potential or constant current, of 1 which showed three voltammetric peaks gave the corresponding nitramine (2) and N-alkyl-N-(2-oxoalkyl)nitrosamine (3) as the main products.In the case of 1 which showed two voltammetric peaks, however, the side chain oxidized nitrosamine 3 was not obtained.It is suggested that the oxygen atom incorporated in the products 2 and 3 originated from dioxygen dissolved in the medium, and that the numbers of electrons required for the formation of 2 and 3 are one and two, respectively.A possible reaction sequence, which involves the reactions of the radical cation (4) derived from 1 and a radical formed by intramolecular rearrangement of 4 with dioxygen, is proposed.Keywords---N-nitrosodialkylamine; N-nitramine; N-alkyl-N-(2-oxoalkyl)nitrosamine; electrochemical oxidation; cyclic voltammetry; controlled potential electrolysis; constant current electrolysis