Di(N-nitroso)-perhydropyrimidine

Base Information

• Chemical Name: Di(N-nitroso)-perhydropyrimidine
• CAS No.: 15973-99-6
• Molecular Formula: C4H8 N4 O2
• Molecular Weight: 144.16
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID9021009
• Nikkaji Number: J90.418J
• Wikidata: Q81983686
• ChEMBL ID: CHEMBL165081
• Mol file: 15973-99-6.mol

Synonyms:di(N-nitroso)-perhydropyrimidine

Chemical Property of Di(N-nitroso)-perhydropyrimidine

Chemical Property:

• Vapor Pressure: 1.96E-06mmHg at 25°C
• Melting Point: 62°C
• Refractive Index: 1.8500 (estimate)
• Boiling Point: 406.1°C at 760 mmHg
• Flash Point: 199.4°C
• PSA: 65.34000
• Density: 1.53g/cm³
• LogP: 0.19020
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 144.06472551
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

DI(N-NITROSO)-PERHYDROPYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CN(C1)N=O)N=O

Technology Process of Di(N-nitroso)-perhydropyrimidine

There total 4 articles about Di(N-nitroso)-perhydropyrimidine 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Trimethylenediamine (109-76-2,54018-94-9) → 1,3-dinitroso-1,3-diazacyclohexane (15973-99-6)

Guidance literature:

With hydrogenchloride; sodium nitrite; Yield given. Multistep reaction; 1) water, 1 h, room temperature 2) <5 deg C, 10 min;

DOI:10.1021/jo00200a026

Reference yield:

1,3-dinitro-hexahydro-pyrimidine (5754-89-2) → 1,3-dinitroso-1,3-diazacyclohexane (15973-99-6)

Guidance literature:

In ethanol; at 200 - 300 ℃; Thermodynamic data; decomposition in sealed tube;

DOI:10.1021/j100079a019

Reference yield:

1,3-dinitro-hexahydro-pyrimidine (5754-89-2) → 1,3-dinitroso-1,3-diazacyclohexane (15973-99-6)

Guidance literature:

In acetone; at 240 ℃; Rate constant; Thermodynamic data; decomposition in sealed tube;

DOI:10.1021/j100079a019

upstream raw materials:

formaldehyd

Trimethylenediamine

1,3-dinitro-hexahydro-pyrimidine

Downstream raw materials:

1,3-dinitro-hexahydro-pyrimidine

2-hydroxybenzyl-1,3-dinitrosohexahydropyrimidine

2-benzyl-1,3-dinitrosohexahydropyrimidine

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