1-(2,6-Dimethylpyridin-4-YL)ethanone

Base Information

• Chemical Name: 1-(2,6-Dimethylpyridin-4-YL)ethanone
• CAS No.: 72693-15-3
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• Hs Code.: 2933399090
• European Community (EC) Number: 865-052-6
• DSSTox Substance ID: DTXSID10530146
• Wikidata: Q82401096
• Mol file: 72693-15-3.mol

Synonyms:1-(2,6-DIMETHYLPYRIDIN-4-YL)ETHANONE;72693-15-3;1-(2,6-dimethylpyridin-4-yl)ethan-1-one;4-Acetyl-2,6-dimethylpyridine;2,6-dimethyl-4-acetylpyridine;SCHEMBL5762468;DTXSID10530146;FLQWILGTHKHWNV-UHFFFAOYSA-N;MFCD07367302;AKOS006287701;AB31118;AS-43427;CS-0232178;EN300-126484

Chemical Property of 1-(2,6-Dimethylpyridin-4-YL)ethanone

Chemical Property:

• PSA: 29.96000
• LogP: 1.90100
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

98%min ^*data from raw suppliers

1-(2,6-Dimethylpyridin-4-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,6-Dimethylpyridin-4-YL)ethanone

There total 3 articles about 1-(2,6-Dimethylpyridin-4-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: 56.0%

4-Ethynyl-2,6-dimethylpyridine (86520-95-8) → 1-(2,6-dimethylpyridin-4-yl)ethan-1-one (72693-15-3)

Guidance literature:

With sulfuric acid; water; mercury(II) sulfate; In acetone; for 2h; Heating;

DOI:10.1055/s-1984-30792

Reference yield: 45.0%

→ 1-(2,6-dimethylpyridin-4-yl)ethan-1-one (72693-15-3)

Guidance literature:

With hydrogenchloride; water; at 20 ℃; for 3h;

Reference yield: 11.0%

2,6-dimethylisonicotinonitrile (39965-81-6) + methyl magnesium iodide (917-64-6) → 1-(2,6-dimethylpyridin-4-yl)ethan-1-one (72693-15-3)

Guidance literature:

2,6-dimethylisonicotinonitrile; methyl magnesium iodide; In diethyl ether; at 0 - 5 ℃; for 2h; Heating / reflux;

With water; ammonium chloride; In diethyl ether; at 0 - 5 ℃;

With hydrogenchloride; water; sodium hydrogencarbonate; more than 3 stages;

upstream raw materials:

4-Ethynyl-2,6-dimethylpyridine

2,6-dimethylisonicotinonitrile

methyl magnesium iodide

Refernces

• 1、 -. "2-PYRIDINYL[7-(SUBSTITUTED-PYRIDIN-4-YL) PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]METHANONES". Page/Page column 31-32. . Retrieved 2010/02/14.