1,3-Dimethyl-2-pyridone

Base Information

• Chemical Name: 1,3-Dimethyl-2-pyridone
• CAS No.: 6456-92-4
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2933399090
• NSC Number: 142460
• UNII: D5JUM7B3LN
• DSSTox Substance ID: DTXSID80983180
• Nikkaji Number: J101.109J
• Wikidata: Q82970084
• Mol file: 6456-92-4.mol

Synonyms:1,3-Dimethyl-2-pyridone;6456-92-4;2(1H)-Pyridinone, 1,3-dimethyl-;1,3-dimethylpyridin-2-one;1,3-dimethylpyridin-2(1H)-one;1,3-Dimethyl-2(1H)-pyridinone;2(1H)-Pyridone, 1,3-dimethyl-;NSC-142460;1,3-dimethyl-1,2-dihydropyridin-2-one;2(1H)-Pyridinone,1,3-dimethyl-;1,3-Dimethyl-2(1H)-pyridone;NSC142460;D5JUM7B3LN;SCHEMBL146528;2(1H)-Pyridone,3-dimethyl-;2(1H)-Pyridinone,3-dimethyl-;DTXSID80983180;1,3-Dimethyl-2(1H)-pyridinone #;AKOS016552298

Chemical Property of 1,3-Dimethyl-2-pyridone

Chemical Property:

• Vapor Pressure: 0.00988mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 264.1 °C at 760 mmHg
• PKA: 0.80±0.62(Predicted)
• Flash Point: 123.3 °C
• PSA: 22.00000
• Density: 1.038 g/cm³
• LogP: 0.69370
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dimethyl-1H-pyridin-2-one 95% ^*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

Technology Process of 1,3-Dimethyl-2-pyridone

There total 2 articles about 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: 97.0%

N,N-dibenzyl-3-methyl-2-pyridinamine (1285711-92-3) → 1,3-dimethylpyridin-2(1H)-one (6456-92-4) + dibenzylamine (103-49-1)

Guidance literature:

N,N-dibenzyl-3-methyl-2-pyridinamine; With methyl trifluoromethanesulfonate; In dichloromethane; at 0 - 4 ℃;

With sodium hydroxide; In methanol; at 50 ℃; for 6h;

DOI:10.1055/s-0037-1610342

Reference yield:

benzyl-(3-methyl-2-pyridinyl)amine (70720-38-6) → 1,3-dimethylpyridin-2(1H)-one (6456-92-4) + dibenzylamine (103-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydrogencarbonate; triphenylphosphine; nickel(II) triflate; perfluoroisopropyl iodide / 140 °C / Inert atmosphere; Glovebox

2.1: methyl trifluoromethanesulfonate / dichloromethane / 0 - 4 °C

2.2: 6 h / 50 °C

With nickel(II) triflate; perfluoroisopropyl iodide; sodium hydrogencarbonate; triphenylphosphine; methyl trifluoromethanesulfonate; In dichloromethane;

DOI:10.1055/s-0037-1610342

Reference yield: 81.0%

1,3-dimethylpyridin-2(1H)-one (6456-92-4) + bis(pinacol)diborane (73183-34-3) → 1,3-dimethyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one (1425045-01-7)

Guidance literature:

With [2,2]bipyridinyl; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; In 1,4-dioxane; at 40 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1055/s-0036-1588735

upstream raw materials:

benzyl-(3-methyl-2-pyridinyl)amine

N,N-dibenzyl-3-methyl-2-pyridinamine

Downstream raw materials:

1,3-dimethyl-2-piperidinone

2-Methyl-6-(trimethylsilyl)benzoeseure-ethylester

2-Methyl-6-(trimethylsilyl)benzophenon

dimethyl 3-methylbenzene-1,2-dicarboxylate