1-Methyl-2-pyridone

Base Information

• Chemical Name: 1-Methyl-2-pyridone
• CAS No.: 694-85-9
• Deprecated CAS: 3687-36-3,859803-97-7,859803-97-7
• Molecular Formula: C6H7 N O
• Molecular Weight: 109.128
• Hs Code.: 2933399090
• European Community (EC) Number: 211-777-2
• NSC Number: 176168,9383
• UNII: NY6MVO4K7R
• DSSTox Substance ID: DTXSID8061008
• Nikkaji Number: J66.653J
• Wikidata: Q72496911
• ChEMBL ID: CHEMBL12607
• Mol file: 694-85-9.mol

Synonyms:N-methyl-2-pyridone

Chemical Property of 1-Methyl-2-pyridone

Chemical Property:

• Appearance/Colour: clear brown solid.
• Vapor Pressure: 0.0222mmHg at 25°C
• Melting Point: 30-32 ºC
• Refractive Index: n20/D 1.569
• Boiling Point: 250 ºC (740 mmHg)
• PKA: 0.30±0.62(Predicted)
• Flash Point: >230 °F
• PSA: 22.00000
• Density: 1.11
• LogP: 0.38530
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water (1000 mg/ml at 20°C).
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.052763847
• Heavy Atom Count: 8
• Complexity: 158

Purity/Quality:

99.00% ^*data from raw suppliers

1-Methyl-2-pyridone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: CN1C=CC=CC1=O
• Uses: 1-Methyl-2-pyridone is used as a reactant in the trifluoromethylation of arenes and heteroarenes by means of photoredox catalysis.

Technology Process of 1-Methyl-2-pyridone

There total 90 articles about 1-Methyl-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: 99.1%

2-methoxypyridine (1628-89-3) → 1-methyl-2-pyridone (694-85-9,859803-97-7)

Guidance literature:

2-methoxypyridine; With potassium chloride; aluminum isopropoxide; In n-heptane; water; at 15 ℃; for 2h;

With osmium (III) chloride; In n-heptane; water; at 26 ℃; for 3h; Temperature;

Reference yield: 96.0%

1-methyl-2-pyridinethione (2044-27-1) → 1-methyl-2-pyridone (694-85-9,859803-97-7)

Guidance literature:

With sodium hydroxide; copper(l) chloride; In water; acetonitrile; at 25 ℃; for 0.333333h;

DOI:10.1016/S0040-4039(00)83914-3

Reference yield: 96.0%

2-hydroxypyridin (142-08-5) → 1-methyl-2-pyridone (694-85-9,859803-97-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 12h; Reflux;

DOI:10.1002/cjoc.202100278

upstream raw materials:

diazomethane

2-Pyridone

pyridine

methyl p-toluene sulfonate

Downstream raw materials:

2-chloropyridine

1-methyl-2-pyridone phenylimine

2-benzylidene-1-methyl-1,2-dihydro-pyridine

2,5 dichloropyridine

Refernces

• 1、 Beak,Bonham. "-". . p. 631. Retrieved 1966.
• 2、 Tao, Shanqing,Xiao, Jiaxi,Li, Yadong,Sun, Fengxia,Du, Yunfei. "PhICl2/NH4SCN-Mediated Oxidative Regioselective Thiocyanation of Pyridin-2(1H)-ones". . p. 2536 - 2546. Retrieved 2021/07/31.
• 3、 Wong, Amy,Vikse, Krista,Wu, Weiming. "Decarboxylation of orotic acid analogues: Comparison of solution and gas-phase reactivity". supporting information. . Retrieved 2020/08/06.