2-Chloro-4-propionylpyridine

Base Information

• Chemical Name: 2-Chloro-4-propionylpyridine
• CAS No.: 87121-53-7
• Molecular Formula: C₈H₈ClNO
• Molecular Weight: 169.611
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80521844
• Wikidata: Q82386603
• Mol file: 87121-53-7.mol

Synonyms:2-CHLORO-4-PROPIONYLPYRIDINE;87121-53-7;1-(2-chloropyridin-4-yl)propan-1-one;MFCD07699407;SCHEMBL5860112;DTXSID80521844;AKOS006287063;EN300-209326;N13049;Z1198173579

Chemical Property of 2-Chloro-4-propionylpyridine

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Boiling Point: 283.252°C at 760 mmHg
• Flash Point: 125.107°C
• PSA: 29.96000
• Density: 1.189g/cm³
• LogP: 2.32770
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 169.0294416
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

1-(2-chloropyridin-4-yl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)C1=CC(=NC=C1)Cl

Technology Process of 2-Chloro-4-propionylpyridine

There total 5 articles about 2-Chloro-4-propionylpyridine 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%

1-(2-(methylsulfonyl)pyridin-4-yl)propan-1-one (1220126-90-8) + sodium methansulfinate (20277-69-4) → 1-(2-chloropyridin-4-yl)propan-1-one (87121-53-7)

Guidance literature:

In water; acetic acid; at 110 ℃; for 46h; Reagent/catalyst; Solvent; Temperature; Time;

DOI:10.1021/op5001513

Reference yield: 72.0%

2-chloroisonicotinic acid, (6313-54-8) + ethylmagnesium chloride (2386-64-3) → 1-(2-chloropyridin-4-yl)propan-1-one (87121-53-7)

Guidance literature:

In tetrahydrofuran; at -20 - 20 ℃; for 4h;

DOI:10.1021/op5001513

Reference yield: 52.0%

2-chloro-4-pyridinenitrile (33252-30-1) + ethylmagnesium bromide (925-90-6) → 1-(2-chloropyridin-4-yl)propan-1-one (87121-53-7)

Guidance literature:

In diethyl ether; for 20h; Ambient temperature;

upstream raw materials:

2-chloro-4-pyridinenitrile

ethylmagnesium bromide

1-(2-(methylsulfonyl)pyridin-4-yl)propan-1-one

sodium methansulfinate

Downstream raw materials:

(S)-5-Ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione

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