Tetrahydro-5-hydroxy-1H-pyrimidin-2-one

Base Information

• Chemical Name: Tetrahydro-5-hydroxy-1H-pyrimidin-2-one
• CAS No.: 1852-18-2
• Molecular Formula: C4H8 N2 O2
• Molecular Weight: 116.12
• Hs Code.: 2933599090
• European Community (EC) Number: 217-444-8
• NSC Number: 53289,38458
• DSSTox Substance ID: DTXSID80171742
• Nikkaji Number: J199.667C
• Wikidata: Q83041892
• Mol file: 1852-18-2.mol

Synonyms:1852-18-2;5-hydroxy-1,3-diazinan-2-one;Tetrahydro-5-hydroxy-1H-pyrimidin-2-one;5-hydroxytetrahydropyrimidin-2(1h)-one;5-hydroxytetrahydro-2(1H)-pyrimidinone;EINECS 217-444-8;NSC53289;tetrahydro-5-hydroxy-2(1H)-pyrimidinone;5-Hydroxy-propylenharnstoff;SCHEMBL471792;DTXSID80171742;BAA85218;NSC38458;MFCD03931656;NSC 38458;NSC 53289;NSC-38458;NSC-53289;AKOS006279508;KK-0713;SB57354;CS-0149711;D82915;EN300-218443;Z1198163621

Chemical Property of Tetrahydro-5-hydroxy-1H-pyrimidin-2-one

Chemical Property:

• Vapor Pressure: 7.88E-10mmHg at 25°C
• Boiling Point: 446°Cat760mmHg
• Flash Point: 223.6°C
• PSA: 61.36000
• Density: 1.262g/cm³
• LogP: -0.68230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.058577502
• Heavy Atom Count: 8
• Complexity: 94.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-hydroxy-1,3-diazinan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CNC(=O)N1)O

Technology Process of Tetrahydro-5-hydroxy-1H-pyrimidin-2-one

There total 7 articles about Tetrahydro-5-hydroxy-1H-pyrimidin-2-one 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: 100.0%

1,3-Diamino-2-hydroxypropane (616-29-5) + Diethyl carbonate (105-58-8,76619-83-5) → tetrahydro-5-hydroxy-2(1H)-pyrimidinone (1852-18-2)

Guidance literature:

With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; for 16h; Reflux;

Reference yield: 100.0%

1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine (5807-14-7,389623-48-7) + 1,3-Diamino-2-hydroxypropane (616-29-5) + Diethyl carbonate (105-58-8,76619-83-5) → tetrahydro-5-hydroxy-2(1H)-pyrimidinone (1852-18-2)

Guidance literature:

Reference yield: 70.0%

S,S-dimethyl dithiocarbonate (868-84-8) + 1,3-Diamino-2-hydroxypropane (616-29-5) → tetrahydro-5-hydroxy-2(1H)-pyrimidinone (1852-18-2) + 5-(S)-aminomethyloxazolidinone (119736-09-3)

Guidance literature:

In methanol; at 60 ℃; for 24h; Yields of byproduct given;

DOI:10.1021/jo9522825

upstream raw materials:

5-hydroxybarbituric acid

2-nitroamino-1,4,5,6-tetrahydro-pyrimidin-5-ol

S,S-dimethyl dithiocarbonate

1,3-Diamino-2-hydroxypropane

Downstream raw materials:

2-oxohexahydropyrimidin-5-yl 4-vinylbenzoate

N,N'-dibenzyl-5-benzyloxytetrahydropyrimidin-2-one

tetrahydro-5-(tosyloxy)-2(1H)-pyrimidinone

Refernces

• 1、 -. "POLYMERIZABLE MONOMERS". Page/Page column 7. . Retrieved 2012/02/06.
• 2、 You, Zhengqing,Lee, Henry. "New AZT conjugates as potent anti-HIV agents". . p. 37 - 54. Retrieved 2007/10/03.