5-Bromo-1,3-dimethyl-2-pyridone

Base Information

• Chemical Name: 5-Bromo-1,3-dimethyl-2-pyridone
• CAS No.: 51417-13-1
• Molecular Formula: C7H8BrNO
• Molecular Weight: 202.051
• Hs Code.: 2933399090
• European Community (EC) Number: 816-812-0
• Nikkaji Number: J3.204.844G
• Wikidata: Q106902797
• Mol file: 51417-13-1.mol

Synonyms:5-Bromo-1,3-dimethyl-2-pyridone;51417-13-1;5-bromo-1,3-dimethylpyridin-2(1H)-one;5-Bromo-1,3-dimethylpyridin-2-one;5-Bromo-1,3-dimethyl-1H-pyridin-2-one;MFCD16658881;2(1H)-Pyridinone, 5-bromo-1,3-dimethyl-;SCHEMBL2118787;UEHHXNZKBMALIY-UHFFFAOYSA-N;BCA41713;AKOS016555080;AM83281;CS-15734;SY102512;5-BroMo-1,3-diMethyl-2-pyridone, 97%;CS-0040848;EN300-85868;I10093;5-bromo-1,3-dimethyl-1,2-dihydropyridin-2-one;A871288

Chemical Property of 5-Bromo-1,3-dimethyl-2-pyridone

Chemical Property:

• Melting Point: 105-106℃
• Boiling Point: 266.6±33.0 °C(Predicted)
• PKA: -0.01±0.62(Predicted)
• PSA: 22.00000
• Density: 1.543±0.06 g/cm3(Predicted)
• LogP: 1.45620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 200.97893
• Heavy Atom Count: 10
• Complexity: 230

Purity/Quality:

97% purity ^*data from raw suppliers

5-Bromo-1,3-dimethyl-2-pyridone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN(C1=O)C)Br

Technology Process of 5-Bromo-1,3-dimethyl-2-pyridone

There total 6 articles about 5-Bromo-1,3-dimethyl-2-pyridone 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: 98.0%

5-bromo-2-hydroxy-3-methyl pyridine (89488-30-2) + methyl iodide (74-88-4) → 5-bromo-1,3-dimethyl-1,2-dihydropyridin-2-one (51417-13-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield: 82.0%

3,5-dibromo-1-methyl-1H-pyridin-2-one (14529-54-5) + methylmagnesium bromide (75-16-1) → 5-bromo-1,3-dimethyl-1,2-dihydropyridin-2-one (51417-13-1)

Guidance literature:

With iron(III)-acetylacetonate; In tetrahydrofuran; toluene; for 2h; Reagent/catalyst; Solvent; Temperature; chemoselective reaction; Inert atmosphere;

DOI:10.1021/ol401508u

Reference yield: 71.6%

5-bromo-3-methylpyridin-2(1H)-one (89488-30-2) + methyl iodide (74-88-4) → 5-bromo-1,3-dimethyl-1,2-dihydropyridin-2-one (51417-13-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 16h;

upstream raw materials:

5-bromo-3-methylpyridin-2(1H)-one

methyl iodide

5-bromo-3-methyl-pyridin-2-ylamine

5-bromopyridin-2-ol

Downstream raw materials:

1,5-dimethyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid

Refernces

• 1、 -. "SUBSTITUTED INDOLE COMPOUNDS USEFUL AS INHIBITORS OF TLR7/8/9". Page/Page column 57; 58. . Retrieved 2019/02/15.
• 2、 -. "New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9". Paragraph 0417. . Retrieved 2018/03/25.