2-(4-Chlorobenzoyl)pyridine

Base Information

• Chemical Name: 2-(4-Chlorobenzoyl)pyridine
• CAS No.: 6318-51-0
• Molecular Formula: C12H8ClNO
• Molecular Weight: 217.655
• Hs Code.: 2933399090
• European Community (EC) Number: 228-662-8
• NSC Number: 31646
• UNII: 9I1OE7A9TD
• DSSTox Substance ID: DTXSID50212530
• Nikkaji Number: J31.350E
• Wikidata: Q72457493
• Mol file: 6318-51-0.mol

Synonyms:6318-51-0;2-(4-Chlorobenzoyl)pyridine;(4-chlorophenyl)(pyridin-2-yl)methanone;190850-37-4;(4-Chlorophenyl) 2-pyridyl ketone;(4-chlorophenyl)-pyridin-2-ylmethanone;2-[(4-chlorophenyl)carbonyl]pyridine;C12H8ClNO;(4-Chlorophenyl)(2-pyridinyl)methanone;4-chlorophenyl 2-pyridyl ketone;Methanone, (4-chlorophenyl)-2-pyridinyl-;4-(2-Pyridinyl)benzoyl Chloride;MFCD02930888;2-(p-chlorobenzoyl)pyridine;9I1OE7A9TD;EINECS 228-662-8;NSC-31646;Methanone,(4-chlorophenyl)-2-pyridinyl-;Benzoyl chloride,4-(2-pyridinyl)-;NSC31646;UNII-9I1OE7A9TD;Oprea1_559564;SCHEMBL3830943;DTXSID50212530;(4-Chlorophenyl)2-pyridyl ketone;NSC 31646;STK737651;(4-chlorophenyl)(2-pyridyl)methanone;AKOS005536737;(4-chlorophenyl)-(2-pyridinyl)methanone;AC-19015;DS-17608;SY051131;(4-Chlorophenyl)(2-pyridinyl)methanone #;AM20080782;C2647;CS-0099057;FT-0655340;FT-0726373;EN300-72702;A854583;Not available;(4-Chlorophenyl)(pyridin-2-yl)methanone;Z599780608

Chemical Property of 2-(4-Chlorobenzoyl)pyridine

Chemical Property:

• Melting Point: 62.0 to 66.0 °C
• Boiling Point: 356 °C at 760 mmHg
• PKA: 2.69±0.10(Predicted)
• Flash Point: 169.1 °C
• PSA: 29.96000
• Density: 1.26 g/cm³
• LogP: 2.96600
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.0294416
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Chlorobenzoyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C(=O)C2=CC=C(C=C2)Cl
• Uses: 2-(4-Chlorobenzoyl)pyridine can be used as reactant/reagent in asymmetric transfer hydrogenation of aryl N-heteroaryl ketones catalyzed bifunctional oxo-tethered ruthenium complex.

Technology Process of 2-(4-Chlorobenzoyl)pyridine

There total 38 articles about 2-(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: 100.0%

(4-chlorophenyl)-2-pyridylmethanol (27652-89-7) → 2-(4-chlorobenzoyl)pyridine (6318-51-0)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 4h;

DOI:10.1002/chem.201302997

Reference yield: 95.0%

2-(4-chlorobenzyl)pyridine (4350-41-8) → 2-(4-chlorobenzoyl)pyridine (6318-51-0)

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: 94.0%

2-iodopyridine (5029-67-4) + para-chlorobenzoic acid (74-11-3) → 2-(4-chlorobenzoyl)pyridine (6318-51-0)

Guidance literature:

para-chlorobenzoic acid; With isopropylmagnesium bromide; In tetrahydrofuran; 2-methyltetrahydrofuran; at 10 ℃; Inert atmosphere; Cooling with ice;

2-iodopyridine; In tetrahydrofuran; 2-methyltetrahydrofuran; Inert atmosphere;

With TurboGrignard; In tetrahydrofuran; 2-methyltetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.6b00194

upstream raw materials:

pyridine-2-carbonyl chloride

chlorobenzene

2-(4-chlorobenzyl)pyridine

1c-(4-chloro-phenyl)-1t-[2]pyridyl-3-pyrrolidino-propene

Downstream raw materials:

(4-chlorophenyl)-2-pyridylmethanol

2-[2-(4-chlorophenyl)-3-methyloxiranyl]pyridine

2-[2-(4-chlorophenyl)-3-isopropyloxiranyl]pyridine

2-[2-(4-chlorophenyl)-3-ethyloxiranyl]pyridine

Refernces

• 1、 Qin, Guo-Xin,Hao, Yan,Wang, Shuai,Dong, Yu-Bin. "Rapid formation of nitrogen-doped carbon foams by self-foaming as metal-free catalysts for selective oxidation of aromatic alkanes". . . Retrieved 2020/01/03.
• 2、 -. "Method for simply and conveniently synthesizing heterocyclic aryl ketone compound". Paragraph 0034; 0035; 0036. . Retrieved 2019/01/23.