35627-29-3

Basic information

• Product Name: 3-nitrosotetrahydro-1,3-oxazine
• Synonyms: 3-nitrosotetrahydro-1,3-oxazine;N-NITROSOTETRAHYDRO-1,3-OXAZINE;3-Nitrosotetrahydro-2H-1,3-oxazine;Tetrahydro-3-nitroso-3H-1,3-oxazine
• CAS NO: 35627-29-3
• Molecular Formula: C4H8N2O2
• Molecular Weight: 0
• Mol File: 35627-29-3.mol

Chemical Properties

• Boiling Point: 217.15°C (rough estimate)
• Flash Point: 114.1°C
• Appearance: /
• Density: 1.2829 (rough estimate)
• Vapor Pressure: 0.0153mmHg at 25°C
• Refractive Index: 1.4880 (estimate)
• CAS DataBase Reference: 3-nitrosotetrahydro-1,3-oxazine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-nitrosotetrahydro-1,3-oxazine(35627-29-3)
• EPA Substance Registry System: 3-nitrosotetrahydro-1,3-oxazine(35627-29-3)

Safety Data

• Hazardous Substances Data: 35627-29-3(Hazardous Substances Data)

Usage

Safety Profile

Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

InChI:InChI=1/C4H8N2O2/c7-5-6-2-1-3-8-4-6/h1-4H2

Upstream product

• 156-87-6 propan-1-ol-3-amine 
• 63489-63-4 bis(1,3-oxazinan-3-yl)methane 

Downstream Products

• 39885-57-9 [1,3]oxazinane-3-carbonyl chloride 
• 39885-24-0 3-Amino-tetrahydro-1,3-oxazin 
• 70103-78-5 N-(3-Acetoxypropyl)-N-(acetoxymethyl)-nitrosamine 

Relevant articles and documents

Deamination of Primary Aminoalkanols. Formation of Substituted N-Nitroso-1,3-oxazolidines and N-Nitroso-1,3-tetrahydrooxazines

The deamination of 2-amino- and 3-aminoalkanols in the presence of nitrous acid is reported.The 2-aminoalkanols generated aldehydes upon loss of nitrogen, followed by oxazolidine formation by reaction with starting material and finally nitrosation to substituted N-nitroso-1,3-oxazolidines.Ethanolamine gave N-nitroso-2-methyl-1,3-oxazolidine; 2-amino-2-methyl-1-propanol was converted to N-nitroso-2-isopropyl-4,4-dimethyl-1,3-oxazolidine.Deamination of 1-amino-2-propanol gave propionaldehyde, which upon further reaction produced cis- and trans-N-nitroso-2-ethyl-5-methyl-1,3-oxazolidines. (E)- and (Z)-N-nitroso-2-ethyl-4-methyl-1,3-oxazolidines were obtained from the deamination of 2-amino-1-propanol.Propionaldehyde and formaldehyde were produced by diazotiazation of 1-amino-3-propanol.Further reaction of the aldehydes with unreacted amine formed N-nitroso-1,3-tetrahydrooxazine and N-nitroso-2-ethyl-1,3-tetrahydrooxazine.Nuclear magnetic resonance and deuterium-exchange studies of these compounds are discussed.