5-Acetyl-3-chloro-6-methyl-1,2-dihydropyridin-2-one

Base Information

• Chemical Name: 5-Acetyl-3-chloro-6-methyl-1,2-dihydropyridin-2-one
• CAS No.: 58405-00-8
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.60800
• Hs Code.: 2933399990
• European Community (EC) Number: 800-116-9
• Mol file: 58405-00-8.mol

Synonyms:58405-00-8;5-acetyl-3-chloro-6-methyl-1,2-dihydropyridin-2-one;5-Acetyl-3-chloro-6-methylpyridin-2(1H)-one;5-ACETYL-3-CHLORO-6-METHYL-1H-PYRIDIN-2-ONE;MFCD23136032;AKOS015996940;KG-0702

Chemical Property of 5-Acetyl-3-chloro-6-methyl-1,2-dihydropyridin-2-one

Chemical Property:

• Boiling Point: 338.8±42.0 °C(Predicted)
• PKA: 8.51±0.10(Predicted)
• PSA: 50.19000
• Density: 1.30±0.1 g/cm3(Predicted)
• LogP: 1.95160
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 315

Purity/Quality:

95% ^*data from raw suppliers

5-Acetyl-3-chloro-6-methyl-1,2-dihydropyridin-2-one >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C(=O)N1)Cl)C(=O)C

Technology Process of 5-Acetyl-3-chloro-6-methyl-1,2-dihydropyridin-2-one

There total 4 articles about 5-Acetyl-3-chloro-6-methyl-1,2-dihydropyridin-2-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: 9.6%

5-acetyl-6-methyl-2(1H)-pyridinone (5220-65-5) → 5-acetyl-3-chloro-6-methyl-2(1H)-pyridinone (58405-00-8)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; at 60 ℃; for 1h;

DOI:10.1248/cpb.39.1556

Reference yield:

5-acetyl-1,2-dihydro-6-methyl-2-oxonicotinonitrile (52600-53-0) → 5-acetyl-3-chloro-6-methyl-2(1H)-pyridinone (58405-00-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 49 percent / 50percent H₂SO₄ / 7.5 h / Heating

2: 78 percent / various solvent(s) / 3 h / Heating

3: 9.6 percent / conc. HCl, 35percent H₂O₂ / 1 h / 60 °C

With hydrogenchloride; sulfuric acid; dihydrogen peroxide; In various solvent(s);

DOI:10.1248/cpb.39.1556

Reference yield:

5-acetyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarboxylic acid (88302-06-1) → 5-acetyl-3-chloro-6-methyl-2(1H)-pyridinone (58405-00-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / various solvent(s) / 3 h / Heating

2: 9.6 percent / conc. HCl, 35percent H₂O₂ / 1 h / 60 °C

With hydrogenchloride; dihydrogen peroxide; In various solvent(s);

DOI:10.1248/cpb.39.1556

upstream raw materials:

5-acetyl-6-methyl-2(1H)-pyridinone

5-acetyl-1,2-dihydro-6-methyl-2-oxonicotinonitrile

5-acetyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarboxylic acid