AKOS 94039

Base Information

• Chemical Name: AKOS 94039
• CAS No.: 62246-94-0
• Molecular Formula: C12H8ClNO
• Molecular Weight: 217.655
• Hs Code.: 2933399090
• Mol file: 62246-94-0.mol

Synonyms:(3-chlorophenyl)-pyridin-4-ylmethanone;

Chemical Property of AKOS 94039

Chemical Property:

• Vapor Pressure: 1.75E-05mmHg at 25°C
• Boiling Point: 363.9°Cat760mmHg
• Flash Point: 173.9°C
• PSA: 29.96000
• Density: 1.26g/cm³
• LogP: 2.96600
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

(3-chlorophenyl)(pyridin-4-yl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AKOS 94039

There total 4 articles about AKOS 94039 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: 66.0%

pyridine-4-carbonitrile (100-48-1) + 1-bromo-3-chlorobenzene (108-37-2) → (3-chlorophenyl)(pyridin-4-yl)methanone (62246-94-0)

Guidance literature:

pyridine-4-carbonitrile; 1-bromo-3-chlorobenzene; With magnesium; In diethyl ether; toluene; at 80 ℃; for 1.75h;

With sulfuric acid; In diethyl ether; toluene; at 20 ℃; for 0.5h;

DOI:10.1021/ml5000228

Reference yield: 64.0%

pyridine-4-carbaldehyde (872-85-5) + (3-chlorophenyl)magnesium bromide (36229-42-2) → (3-chlorophenyl)(pyridin-4-yl)methanone (62246-94-0)

Guidance literature:

In tetrahydrofuran; at 80 ℃; for 3h;

DOI:10.1021/jm701247k

Reference yield: 59.0%

1-(3-chloro-benzyl)-pyridinium; bromide (59347-49-8) → (3-chlorophenyl)(pyridin-4-yl)methanone (62246-94-0)

Guidance literature:

With (5,10,15,20-tetrakis(p-methoxyphenyl)-21H,23H-porphyrinate)cobalt(II); oxygen; sodium hydroxide; In 1,2-dichloro-ethane; acetonitrile; at 20 ℃; for 10h; Irradiation;

DOI:10.1007/s11426-020-9958-6

upstream raw materials:

pyridine-4-carbaldehyde

(3-chlorophenyl)magnesium bromide

pyridine-4-carbonitrile

1-bromo-3-chlorobenzene

Downstream raw materials:

(3-chlorophenyl)[4-(pyrrolidin-1-ylmethyl)phenyl](pyridin-4-yl)methanol

(3Z)-4-(3-chlorophenyl)-N,N-dimethyl-4-(4-pyridyl)but-3-en-1-ammonium trifluoroacetate

(3E)-4-(3-chlorophenyl)-N,N-dimethyl-4-(4-pyridyl)but-3-en-1-ammonium trifluoroacetate

Refernces

• 1、 Deane, Karen J.,Summers, Robert L.,Lehane, Adele M.,Martin, Rowena E.,Barrow, Russell A.. "Chlorpheniramine Analogues Reverse Chloroquine Resistance in Plasmodium falciparum by Inhibiting PfCRT". . p. 576 - 581. Retrieved 2014/06/09.
• 2、 -. "ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE". Page/Page column 51. . Retrieved 2010/11/28.