1-(3-Chloropyridin-2-yl)ethanone

Base Information

• Chemical Name: 1-(3-Chloropyridin-2-yl)ethanone
• CAS No.: 131109-75-6
• Molecular Formula: C7H6ClNO
• Molecular Weight: 155.58
• Hs Code.: 2933399990
• European Community (EC) Number: 815-023-9
• DSSTox Substance ID: DTXSID40562551
• Wikidata: Q82446767
• Mol file: 131109-75-6.mol

Synonyms:1-(3-Chloropyridin-2-yl)ethanone;131109-75-6;2-Acetyl-3-chloropyridine;1-(3-Chloropyridin-2-yl)ethan-1-one;MFCD11656222;Ethanone, 1-(3-chloro-2-pyridinyl)-;acetyl-pyridine chloride;SCHEMBL365395;AMY5404;DTXSID40562551;1-(3-Chloro-2-pyridyl)ethanone;GMXZSVFWDQBSFR-UHFFFAOYSA-N;AKOS016000898;DS-5882;PB28312;CS-0052888;EN300-99995;A850358

Chemical Property of 1-(3-Chloropyridin-2-yl)ethanone

Chemical Property:

• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Chloropyridin-2-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(C=CC=N1)Cl

Technology Process of 1-(3-Chloropyridin-2-yl)ethanone

There total 3 articles about 1-(3-Chloropyridin-2-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: 80.0%

methyl magnesium iodide (917-64-6) + 3-chloro-2-cyanopyridine (38180-46-0) → 1-(3-chloropyridin-2-yl)ethanone (131109-75-6)

Guidance literature:

In diethyl ether; toluene; Heating;

Reference yield:

methylmagnesium bromide (75-16-1) + 3-chloro-2-cyanopyridine (38180-46-0) → 1-(3-chloropyridin-2-yl)ethanone (131109-75-6)

Guidance literature:

methylmagnesium bromide; 3-chloro-2-cyanopyridine; In tetrahydrofuran; for 2h; Cooling with ice;

With hydrogenchloride; water; In tetrahydrofuran; for 0.5h; Cooling with ice;

Reference yield:

→ 1-(3-chloropyridin-2-yl)ethanone (131109-75-6)

Guidance literature:

Triethyl-phosphit, 2-Methyl-3-chlor-nitrobenzol, 1) Photolyse, 2) Hydrolyse;

DOI:10.1021/ja01031a024

upstream raw materials:

methyl magnesium iodide

3-chloro-2-cyanopyridine

methylmagnesium bromide

Downstream raw materials:

2-Methylsulfanyl-thiopyrano[3,2-b]pyridin-4-one