1-(5-CHLOROPYRIDIN-2-YL)ETHANONE

Base Information

• Chemical Name: 1-(5-CHLOROPYRIDIN-2-YL)ETHANONE
• CAS No.: 94952-46-2
• Molecular Formula: C7H6ClNO
• Molecular Weight: 155.584
• Hs Code.: 2933399090
• European Community (EC) Number: 833-114-1
• DSSTox Substance ID: DTXSID30436217
• Wikidata: Q72458662
• Mol file: 94952-46-2.mol

Synonyms:1-(5-CHLOROPYRIDIN-2-YL)ETHANONE;

Chemical Property of 1-(5-CHLOROPYRIDIN-2-YL)ETHANONE

Chemical Property:

• Vapor Pressure: 0.047mmHg at 25°C
• Boiling Point: 236.764oC at 760 mmHg
• PKA: 0.72±0.10(Predicted)
• Flash Point: 96.992oC
• PSA: 29.96000
• Density: 1.233g/cm3
• LogP: 1.93760
• 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:

98% ^*data from raw suppliers

1-(5-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=NC=C(C=C1)Cl

Technology Process of 1-(5-CHLOROPYRIDIN-2-YL)ETHANONE

There total 8 articles about 1-(5-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: 93.0%

5-chloro-N-methoxy-N-methylpicolinamide (342601-76-7) + methylmagnesium bromide (75-16-1) → 1-(5-chloropyridin-2-yl)ethan-1-one (94952-46-2)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 4h;

Reference yield: 93.0%

N-(1-(5-chloro-2-pyridinyl)vinyl)acetamide (1174280-80-8) → 1-(5-chloropyridin-2-yl)ethan-1-one (94952-46-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; dichloromethane; water; at 20 ℃;

DOI:10.1002/chem.200900313

Reference yield: 85.0%

2-Bromo-5-chloro-pyridine (40473-01-6) + N,N-dimethyl acetamide (127-19-5,116057-81-9) → 1-(5-chloropyridin-2-yl)ethan-1-one (94952-46-2)

Guidance literature:

2-Bromo-5-chloro-pyridine; With sec.-butyllithium; In diethyl ether; hexane; at -60 ℃; for 2h;

N,N-dimethyl acetamide; In diethyl ether; hexane; for 3h;

With hydrogenchloride; water; In diethyl ether; hexane;

upstream raw materials:

2-cyano-5-chloropyridine

methylmagnesium bromide

5-chloro-N-methoxy-N-methylpicolinamide

2-Bromo-5-chloro-pyridine

Downstream raw materials:

2-bromoacetyl-5-chloropyridine hydrobromide

Refernces

• 1、 -. "2-ALKYNYL-6-PYRIDIN-2-YL-PYRIDAZINONES, 2-ALKYNYL-6-PYRIDIN-2-YL-DIHYDROPYRIDAZINONES, 2-ALKYNYL-6-PYRIMIDIN-2-YL-PYRIDAZINONES AND 2-ALKYNYL-6-PYRIMIDIN-2-YL-DIHYDROPYRIDAZINONES AND THEIR USE AS FUNGICIDES". Page/Page column 12. . Retrieved 2009/10/17.
• 2、 -. "NOVEL 5,7-DISUBSTITUTED [1, 3] THIAZOLO [4, 5] PYRIMIDIN-2 (3H)-AMINE DEIRVATIVES AND THEIR USE IN THERAPY". Page/Page column 26. . Retrieved 2008/06/13.