5-bromo-3-methylpyrimidin-4(3H)-one

Base Information

• Chemical Name: 5-bromo-3-methylpyrimidin-4(3H)-one
• CAS No.: 14248-02-3
• Molecular Formula: C₅H₅BrN₂O
• Molecular Weight: 189.011
• European Community (EC) Number: 817-873-6
• DSSTox Substance ID: DTXSID901295344
• Mol file: 14248-02-3.mol

Synonyms:14248-02-3;5-bromo-3-methylpyrimidin-4(3H)-one;5-bromo-3-methyl-3,4-dihydropyrimidin-4-one;5-Bromo-3-methyl-3H-pyrimidin-4-one;5-bromo-3-methylpyrimidin-4-one;5-bromo-3-methyl-4-pyrimidone;SCHEMBL2399343;DTXSID901295344;MFCD00834961;AKOS015654883;5-Bromo-3-methyl-4(3H)-pyrimidinone;SB55996;BS-43110;CS-0214918;5-Brom-1-methyl-6-oxo-1,6-dihydro-pyrimidin;EN300-204690;P19038

Chemical Property of 5-bromo-3-methylpyrimidin-4(3H)-one

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 187.95853
• Heavy Atom Count: 9
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-3-methyl-3H-pyrimidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=NC=C(C1=O)Br

Technology Process of 5-bromo-3-methylpyrimidin-4(3H)-one

There total 3 articles about 5-bromo-3-methylpyrimidin-4(3H)-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:

5-bromo-4(3H)-pyrimidinone (19808-30-1) + methyl iodide (74-88-4) → 5-bromo-3-methyl-4-pyrimidone (14248-02-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

Reference yield:

3-methylpyrimidin-4-one (6104-45-6) → 5-bromo-3-methyl-4-pyrimidone (14248-02-3)

Guidance literature:

With bromination;

Reference yield:

→ 5-bromo-3-methyl-4-pyrimidone (14248-02-3)

Guidance literature:

entspr. Pyrimidinon, Br2;

DOI:10.1021/jo01332a034

upstream raw materials:

3-methylpyrimidin-4-one

5-bromo-4(3H)-pyrimidinone

methyl iodide