1-(2-Methoxypyridin-3-YL)ethanone

Base Information

• Chemical Name: 1-(2-Methoxypyridin-3-YL)ethanone
• CAS No.: 131674-40-3
• Molecular Formula: C8H9 N O2
• Molecular Weight: 151.165
• Hs Code.: 2933399090
• European Community (EC) Number: 893-376-8
• DSSTox Substance ID: DTXSID10563055
• Wikidata: Q72485834
• Mol file: 131674-40-3.mol

Synonyms:1-(2-METHOXYPYRIDIN-3-YL)ETHANONE;131674-40-3;3-ACETYL-2-METHOXYPYRIDINE;ETHANONE, 1-(2-METHOXY-3-PYRIDINYL)-;Ethanone, 1-(2-methoxy-3-pyridinyl)- (9ci);MFCD11847670;1-(2-METHOXYPYRIDIN-3-YL)ETHAN-1-ONE;SCHEMBL8427582;AMY8011;DTXSID10563055;JOYKURWXKUIHDB-UHFFFAOYSA-N;1-(2-Methoxy-3-pyridyl)ethanone;AKOS015910443;AB64711;CS-W021206;DS-4506;AC-33323;SY038106;ETHANONE,1-(2-METHOXY-3-PYRIDINYL)-;EN300-205150;A888388;J-520449

Chemical Property of 1-(2-Methoxypyridin-3-YL)ethanone

Chemical Property:

• Boiling Point: 62℃ (9 Torr)
• PKA: 1.60±0.10(Predicted)
• PSA: 39.19000
• Density: 1.093±0.06 g/cm3(Predicted)
• LogP: 1.29280
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

98% ^*data from raw suppliers

1-(2-Methoxypyridin-3-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(N=CC=C1)OC

Technology Process of 1-(2-Methoxypyridin-3-YL)ethanone

There total 6 articles about 1-(2-Methoxypyridin-3-YL)ethanone 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: 53.0%

3-acetyl-2-chloropyridine (55676-21-6) + sodium methylate (124-41-4) → 1-(2-methoxypyridin-3-yl)ethanone (131674-40-3)

Guidance literature:

In methanol; for 4h; Inert atmosphere;

DOI:10.1016/j.bmc.2015.07.056

Reference yield:

N,2-dimethoxy-N-methylnicotinamide (926003-56-7) + methylmagnesium bromide (75-16-1) → 1-(2-methoxypyridin-3-yl)ethanone (131674-40-3)

Guidance literature:

N,2-dimethoxy-N-methylnicotinamide; methylmagnesium bromide; In tetrahydrofuran; diethyl ether; for 1.5h; Cooling with ice;

With ammonium chloride; In tetrahydrofuran; diethyl ether; ethyl acetate;

Reference yield:

2-methoxynicotinic acid (16498-81-0) → 1-(2-methoxypyridin-3-yl)ethanone (131674-40-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / chloroform / 6 h / Cooling with ice

1.2: 20 °C

2.1: diethyl ether; tetrahydrofuran / 1.5 h / Cooling with ice

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; diethyl ether; chloroform;

upstream raw materials:

3-acetyl-2-chloropyridine

sodium methylate

methanol

pyridocyclobuten-5-one

Downstream raw materials:

3-(2-bromoacetyl)pyridin-2(1H)-one