4-Hydroxypyrimidine

Base Information

• Chemical Name: 4-Hydroxypyrimidine
• CAS No.: 51953-18-5
• Deprecated CAS: 176773-03-8,542-27-8,542-27-8
• Molecular Formula: C4H4N2O
• Molecular Weight: 96.0886
• Hs Code.: 2933599590
• European Community (EC) Number: 257-545-4,224-932-4
• NSC Number: 157911,1575
• UNII: K43V90OY4L
• DSSTox Substance ID: DTXSID5063524
• Nikkaji Number: J90.464C
• Wikidata: Q17572767
• Mol file: 51953-18-5.mol

Synonyms:4-hydroxypyrimidine;4-OH-P

Chemical Property of 4-Hydroxypyrimidine

Chemical Property:

• Vapor Pressure: 0.725mmHg at 25°C
• Melting Point: 163-165oC
• Refractive Index: 1.596
• Boiling Point: 227.232 °C at 760 mmHg
• PKA: 8.76±0.10(Predicted)
• Flash Point: 91.227 °C
• PSA: 46.01000
• Density: 1.293 g/cm³
• LogP: 0.18220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 96.032362755
• Heavy Atom Count: 7
• Complexity: 137

Purity/Quality:

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

Pyrimidin-4-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrimidines
• Canonical SMILES: C1=CN=CNC1=O

Technology Process of 4-Hydroxypyrimidine

There total 13 articles about 4-Hydroxypyrimidine 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: 18.0%

2-thiouracil (141-90-2,156-82-1) → pyrimidine-4(3H)-one (51953-18-5,542-27-8) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6)

Guidance literature:

With oxygen; ozone; In acetic acid; for 0.25h; Ambient temperature;

DOI:10.1246/bcsj.62.2939

Reference yield: 18.0%

2-thiouracil (141-90-2,156-82-1) → pyrimidine-4(3H)-one (51953-18-5,542-27-8) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6)

Guidance literature:

With oxygen; ozone; In acetic acid; for 0.25h; Product distribution; Mechanism; Ambient temperature; reactions of derivatives;

DOI:10.1246/bcsj.62.2939

Reference yield: 4.0%

2,4-dithiouracil (2001-93-6) → pyrimidine-4(3H)-one (51953-18-5,542-27-8) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6)

Guidance literature:

With oxygen; ozone; In acetic acid; for 0.833333h; Ambient temperature;

DOI:10.1246/bcsj.62.2939

upstream raw materials:

PYRIMIDINE

4-pyrimidinone

2-thiouracil

2,4-dithiouracil

Downstream raw materials:

3-methylpyrimidin-4-one

4-methoxypyrimidine

2-pyridin-2-yl-3H-pyrimidin-4-one

3H,1'H-[2,4']Bipyrimidinyl-4,6'-dione

Refernces

• 1、 Saladino, Raffaele,Botta, Giorgia,Bizzarri, Bruno Mattia,Di Mauro, Ernesto,Garcia Ruiz, Juan Manuel. "A Global Scale Scenario for Prebiotic Chemistry: Silica-Based Self-Assembled Mineral Structures and Formamide". . p. 2806 - 2811. Retrieved 2016/06/01.
• 2、 Matsui,Kamiya,Kawamura,Shibata,Muramatsu. "Ozonization of thio- and azauracils". . p. 2939 - 2941. Retrieved 2007/10/02.