2(1H)-Pyrimidinone, tetrahydro-1-nitroso-

Base Information

• Chemical Name: 2(1H)-Pyrimidinone, tetrahydro-1-nitroso-
• CAS No.: 62641-66-1
• Molecular Formula: C4H7N3O2
• Molecular Weight: 129.118
• NSC Number: 75950
• DSSTox Substance ID: DTXSID40211698
• Nikkaji Number: J1.111H
• Wikidata: Q83086669
• Mol file: 62641-66-1.mol

Synonyms:Propylenenitrosourea;62641-66-1;2(1H)-Pyrimidinone, tetrahydro-1-nitroso-;BRN 0512268;1-Nitroso-tetrahydro-2(1H)-pyrihidinone;NSC75950;DTXSID40211698;NSC 75950;NSC-75950;AKOS006275915;2(1H)-Pyrimidinone,tetrahydro-1-nitroso-

Chemical Property of 2(1H)-Pyrimidinone, tetrahydro-1-nitroso-

Chemical Property:

• Refractive Index: 1.5700 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 61.77000
• Density: 1.55g/cm³
• LogP: 0.34980
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.053826475
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

1-NITROSO-1,3-DIAZINAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)N(C1)N=O

Technology Process of 2(1H)-Pyrimidinone, tetrahydro-1-nitroso-

There total 2 articles about 2(1H)-Pyrimidinone, tetrahydro-1-nitroso- 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:

3,4,5,6-tetrahydropyrimidin-2(1H)-one (1852-17-1) → N-nitrosotetrahydro-2(1H)-pyrimidone (62641-66-1)

Guidance literature:

With sulfuric acid; sodium nitrite; at 0 ℃; for 1.5h;

DOI:10.1016/j.bmcl.2005.09.063

Reference yield:

→ N-nitrosotetrahydro-2(1H)-pyrimidone (62641-66-1)

Guidance literature:

2-Oxo-hexahydropyrimidin, NaNO2, wss. HCl;

DOI:10.1021/jm00342a010

Reference yield:

methanol (67-56-1) + 2-methoxy-1,4-benzoquinone (2880-58-2) + N-nitrosotetrahydro-2(1H)-pyrimidone (62641-66-1) → methyl 2-(6-methoxyindazol-4,7-dion-3-yl)-N-ethylcarbamate

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction; 1.) Et₂O, room temp., 25 min, 2.) Et₂O, THF, room temp., 2 h;

DOI:10.1080/00397919708006095

upstream raw materials:

3,4,5,6-tetrahydropyrimidin-2(1H)-one

Downstream raw materials:

benzyl 2-(6-methoxyindazol-4,7-dion-3-yl)-N-ethylcarbamate