4-Methylpyrimidin-5-ol

Base Information

• Chemical Name: 4-Methylpyrimidin-5-ol
• CAS No.: 101257-87-8
• Molecular Formula: C5H6N2O
• Molecular Weight: 110.11394
• European Community (EC) Number: 866-601-2
• DSSTox Substance ID: DTXSID70559116
• Wikidata: Q82441690
• Mol file: 101257-87-8.mol

Synonyms:4-methylpyrimidin-5-ol;101257-87-8;5-HYDROXY-4-METHYLPYRIMIDINE;5-Pyrimidinol, 4-methyl-;4-methyl-5-hydroxypyrimidine;SCHEMBL1760847;DTXSID70559116;AKOS006275538;SB56459;CS-0310898;E82635;EN300-1859595

Chemical Property of 4-Methylpyrimidin-5-ol

Chemical Property:

• Melting Point: 190 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 229.748 °C at 760 mmHg
• PKA: 6.95±0.15(Predicted)
• Flash Point: 92.748 °C
• PSA: 46.01000
• Density: 1.216 g/cm³
• LogP: 0.49060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 110.048012819
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

98%min ^*data from raw suppliers

4-Methylpyrimidin-5-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=NC=C1O

Technology Process of 4-Methylpyrimidin-5-ol

There total 7 articles about 4-Methylpyrimidin-5-ol 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: 83.0%

2,6-Dichloro-4-methyl-5-hydroxypyrimidine (28918-96-9) → 4-Methyl-5-hydroxypyrimidine (101257-87-8)

Guidance literature:

With potassium hydroxide; nickel; In ethanol; for 2h; Heating;

DOI:10.1007/BF00482500

Reference yield:

6-Methyluracil (626-48-2) → 4-Methyl-5-hydroxypyrimidine (101257-87-8)

Guidance literature:

Multi-step reaction with 5 steps

1: 24 percent / potassium persulfate / aq. NaOH / Ambient temperature

2: 78 percent / 10percent H₂SO₄ / 0.17 h / 85 - 90 °C

3: 81 percent / 9 h

4: 84 percent / POCl₃/dimethylaniline / 2 h / Heating

5: 83 percent / KOH / Raney nickel / aq. ethanol / 2 h / Heating

With potassium hydroxide; potassium peroxomonosulphate; sulfuric acid; 2,3-Dimethylaniline; trichlorophosphate; nickel; In sodium hydroxide; ethanol;

DOI:10.1007/BF00482500

Reference yield:

5-Acetoxy-6-methyluracil (28918-95-8) → 4-Methyl-5-hydroxypyrimidine (101257-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / POCl₃/dimethylaniline / 2 h / Heating

2: 83 percent / KOH / Raney nickel / aq. ethanol / 2 h / Heating

With potassium hydroxide; 2,3-Dimethylaniline; trichlorophosphate; nickel; In ethanol;

DOI:10.1007/BF00482500

upstream raw materials:

formamide

3-hydroxy-4,4-dimethoxybutan-2-one

2,6-Dichloro-4-methyl-5-hydroxypyrimidine

water

Downstream raw materials:

4-Methyl-5-hydroxypyrimidine 1-Oxide

4-Methyl-5-hydroxypyrimidine 3-Oxide

Refernces