5-bromo-1-methylpyrimidin-2(1H)-one

Base Information

• Chemical Name: 5-bromo-1-methylpyrimidin-2(1H)-one
• CAS No.: 14248-01-2
• Molecular Formula: C5H5 Br N2 O
• Molecular Weight: 189.011
• Hs Code.: 2933599090
• NSC Number: 528731
• DSSTox Substance ID: DTXSID00162056
• Wikidata: Q83030575
• Mol file: 14248-01-2.mol

Synonyms:5-bromo-1-methylpyrimidin-2(1H)-one;14248-01-2;5-bromo-1-methylpyrimidin-2-one;5-Bromo-1-methyl-2-pyrimidone;2(1H)-Pyrimidinone, 5-bromo-1-methyl-;MFCD11044136;NSC528731;5-bromo-1-methyl-1,2-dihydropyrimidin-2-one;SCHEMBL2114223;DTXSID00162056;5-Bromo-1-methyl-2-pyrimidinone;PTRMFRSWZCJCSP-UHFFFAOYSA-N;AMY26964;5-bromo-1-methyl-2(1H)-pyrimidone;AKOS006309954;2(1H)Pyrimidinone,5-bromo-1-methyl-;5-Bromo-1-methyl-2(1H)-pyrimidinone;CS-W019692;FS-3740;NSC 528731;NSC-528731;SB57459;SY031920;A885185

Chemical Property of 5-bromo-1-methylpyrimidin-2(1H)-one

Chemical Property:

• Vapor Pressure: 0.144mmHg at 25°C
• Boiling Point: 215.9°C at 760 mmHg
• Flash Point: 84.4°C
• PSA: 34.89000
• Density: 1.73g/cm³
• LogP: 0.54280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.95853
• Heavy Atom Count: 9
• Complexity: 197

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-Bromo-1-methylpyrimidin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C=NC1=O)Br

Technology Process of 5-bromo-1-methylpyrimidin-2(1H)-one

There total 4 articles about 5-bromo-1-methylpyrimidin-2(1H)-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: 45.0%

5-bromo-2-hydroxypyrimidine hydrobromide (81590-30-9) + methyl iodide (74-88-4) → 5-bromo-1-methylpyrimidin-2(1H)-one (14248-01-2)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 15 ℃; for 16h;

Reference yield: 16.0%

2-bromo-1,1,3,3-tetramethoxy-propane (63331-67-9) → 5-bromo-1-methylpyrimidin-2(1H)-one (14248-01-2)

Guidance literature:

Reference yield:

5-bromo-1H-pyrimidin-2-one (38353-06-9) + methyl iodide (74-88-4) → 5-bromo-1-methylpyrimidin-2(1H)-one (14248-01-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 5h;

upstream raw materials:

5-bromo-2-hydroxypyrimidine hydrobromide

methyl iodide

2-bromo-1,1,3,3-tetramethoxy-propane

5-bromo-1H-pyrimidin-2-one

Downstream raw materials:

5-(4-amino-3,5-dimethylphenyl)-1-methylpyrimidin-2(1H)-one

5-bromo-3,4-dihydro-4-(4-methoxyphenyl)-1-methylpyrimidin-2(1H)one

5-bromo-4-(4-methoxyphenyl)-1-methylpyrimidin-2(1H)-one

Refernces

• 1、 Tee,Banerjee. "-". . p. 1032. Retrieved 1972.
• 2、 -. "FACTOR IXA INHIBITORS". Page/Page column 142. . Retrieved 2015/11/09.
• 3、 -. "NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS". Page/Page column 164. . Retrieved 2013/10/21.