4-(4-Chlorobenzoyl)pyridine

Base Information

• Chemical Name: 4-(4-Chlorobenzoyl)pyridine
• CAS No.: 14548-48-2
• Molecular Formula: C12H8ClNO
• Molecular Weight: 217.655
• Hs Code.: 29333999
• European Community (EC) Number: 238-587-2
• NSC Number: 76045
• DSSTox Substance ID: DTXSID30163056
• Nikkaji Number: J241.303E
• Wikidata: Q69757058
• ChEMBL ID: CHEMBL1671946
• Mol file: 14548-48-2.mol

Synonyms:4-(4-Chlorobenzoyl)pyridine;14548-48-2;(4-chlorophenyl)(pyridin-4-yl)methanone;(4-chlorophenyl)-pyridin-4-ylmethanone;4-(4'-Chlorobenzoyl)pyridine;Methanone, (4-chlorophenyl)-4-pyridinyl-;EINECS 238-587-2;NSC76045;4-(4-chloro-benzoyl)pyridine;SCHEMBL1156055;CHEMBL1671946;DTXSID30163056;4-Chlorophenyl(4-pyridyl) ketone;MFCD00006431;NSC 76045;NSC-76045;STK950803;2,2-Dibromo-1-furan-2-yl-ethanone;AKOS000282164;(4-chlorophenyl)-(4-pyridyl)methanone;PS-5562;CS-0218060;FT-0637102;EN300-99762;A808374;Z57479561

Chemical Property of 4-(4-Chlorobenzoyl)pyridine

Chemical Property:

• Appearance/Colour: Yellow crystalline powder
• Vapor Pressure: 2.75E-05mmHg at 25°C
• Melting Point: 108-110 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 357.339 °C at 760 mmHg
• Flash Point: 169.913 °C
• PSA: 29.96000
• Density: 1.26 g/cm³
• LogP: 2.96600
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.0294416
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Chlorobenzoyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=NC=C2)Cl
• Uses: 4-(4-Chlorobenzoyl)pyridine is used as pharmaceutical intermediate.

Technology Process of 4-(4-Chlorobenzoyl)pyridine

There total 10 articles about 4-(4-Chlorobenzoyl)pyridine 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: 96.0%

4-(4-chlorobenzyl)pyridine (4409-11-4) → 4-(4-chlorobenzoyl)pyridine (14548-48-2)

Guidance literature:

With Phenylselenyl bromide; oxygen; acetic acid; In water; dimethyl sulfoxide; at 100 ℃; for 22h; Schlenk technique;

DOI:10.1002/adsc.201601065

Reference yield: 71.7%

4-(chlorocarbonyl)pyridine (14254-57-0) + chlorobenzene (108-90-7) → 4-(4-chlorobenzoyl)pyridine (14548-48-2)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 5 ℃; for 6.41667h; Cooling with ice;

Reference yield: 63.0%

1-(p-chlorobenzoyl)pyridinium chloride (19340-03-5) → 4-(4-chlorobenzoyl)pyridine (14548-48-2)

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:

isonicotinoyl chloride hydrochloride

chlorobenzene

pyridine-4-carbonitrile

(4-chlorphenyl)magnesium bromide

Downstream raw materials:

(4-chloro-phenyl)-(5-chloro-thiophen-2-yl)-pyridin-4-yl-methanol

Bis-(4-chloro-phenyl)-pyridin-4-yl-methanol

1-(4-Chloro-phenyl)-1-pyridin-4-yl-prop-2-en-1-ol

4-(p-Chloro-α-hydroxybenzyl)-1-[3-(p-fluorobenzoyl)propyl]piperidine

Refernces

• 1、 Wang, Anwei,Zhou, WeiYou,Sun, Zhonghua,Zhang, Zhong,Zhang, Zhihui,He, MingYang,Chen, Qun. "Mn(III) active site in hydrotalcite efficiently catalyzes the oxidation of alkylarenes with molecular oxygen". . . Retrieved 2020/12/07.
• 2、 -. "Method for simply and conveniently synthesizing heterocyclic aryl ketone compound". Paragraph 0031; 0032; 0033. . Retrieved 2019/01/23.