4-Hydroxypyrimidine

Base Information

• Chemical Name: 4-Hydroxypyrimidine
• CAS No.: 51953-17-4
• Deprecated CAS: 176773-03-8,542-27-8,542-27-8
• Molecular Formula: C4H4N2O
• Molecular Weight: 96.0886
• Hs Code.: 29339900
• 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: 51953-17-4.mol

Synonyms:4-hydroxypyrimidine;4-OH-P

Chemical Property of 4-Hydroxypyrimidine

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.725mmHg at 25°C
• Melting Point: 166-169 °C(lit.)
• Refractive Index: 1.596
• Boiling Point: 227.232 °C at 760 mmHg
• PKA: pK1:1.85(＋1);pK2:8.59(0) (25°C)
• Flash Point: 91.227 °C
• PSA: 45.75000
• Density: 1.293 g/cm³
• LogP: -0.23010
• Storage Temp.: 0-6°C
• Water Solubility.: 270.3g/L(20 oC)
• 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:

99.0% ^*data from raw suppliers

4-Hydroxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrimidines
• Canonical SMILES: C1=CN=CNC1=O
• Description: Pyrimidone(4-Hydroxypyrimidine) is the name given to either of two heterocyclic compounds with the formula C4H4N2O: 2-pyrimidone and 4-pyrimidone. The compounds can also be called 2-hydroxypyrimidine or 4-hydroxypyrimidine respectively, based on a substituted pyrimidine, or 1, 3-diazine, ring. 4-pyrimidinone is?an important bioactive molecule with?various biological activities such as anti-virus, anti-tumor, induction of interferon production and immune regulation.

Technology Process of 4-Hydroxypyrimidine

There total 10 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: 61.0%

4-hydroxy-2-mercaptopyrimidine (141-90-2,80275-68-9) → Pyrimidin-4-ol (51953-17-4)

Guidance literature:

With ammonium hydroxide; nickel; for 4h; Heating;

DOI:10.1021/j100346a015

Reference yield: 27.0%

ethyl acetoacetate (141-97-9) + guanidine nitrate (113-00-8) → Pyrimidin-4-ol (51953-17-4)

Guidance literature:

With potassium carbonate; In ethanol; for 100h; Heating / reflux;

Reference yield:

methyl N-butyl-2-methyl-5-formylpyrrole-3-carboxylate → 2-methyl-1H-pyrrole (636-41-9) + 2,4-dimethyl-1H-pyrrole (625-82-1) + 3,4-Dimethylphenol (95-65-8) + 1,4-dimethylpyridin-2(1H)-one (15031-42-2) + 3-ethyl-2,6-dimethyl-4(3H)-pyrimidinone (32363-52-3) + 3-Methylpyridine (108-99-6) + acetic acid methyl ester (79-20-9) + thymol (89-83-8) + D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) + D-allose + 2-propylpyrazine (18138-03-9) + Pyrimidin-4-ol (51953-17-4) + isobutene (115-11-7,15220-85-6) + n-butane (106-97-8,9003-29-6,9021-92-5) + isoprene (78-79-5,9003-31-0)

Guidance literature:

at 300 - 900 ℃; Inert atmosphere; Pyrolysis;

DOI:10.1002/jhet.3626

upstream raw materials:

pyrimidine-4(3H)-one

4-hydroxy-2-mercaptopyrimidine

4-pyrimidinone

formamidine

Downstream raw materials:

4-pyrimidinone

4-mercaptopyrimidine

4-chloro-5-cyano-6-difluoromethylpyrimidine

3-benzylpyrimidine-4(3H)-one