(3-Chlorophenyl)(pyridin-3-yl)methanone

Base Information

• Chemical Name: (3-Chlorophenyl)(pyridin-3-yl)methanone
• CAS No.: 62247-00-1
• Molecular Formula: C12H8ClNO
• Molecular Weight: 217.655
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50372724
• Wikidata: Q82160580
• Mol file: 62247-00-1.mol

Synonyms:62247-00-1;(3-Chlorophenyl)(pyridin-3-yl)methanone;(3-chlorophenyl)-pyridin-3-ylmethanone;Methanone, (3-chlorophenyl)-3-pyridinyl-;3-(3-Chlorobenzoyl)pyridine;(3-chlorophenyl)(3-pyridinyl)methanone;SCHEMBL15646031;DTXSID50372724;MDGKXQYPOIIMHW-UHFFFAOYSA-N;MFCD01108847;AKOS000279780;BS-38349;CS-0258456;FT-0756794;EN300-70230;Z608483112

Chemical Property of (3-Chlorophenyl)(pyridin-3-yl)methanone

Chemical Property:

• PSA: 29.96000
• LogP: 2.96600
• 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: 232

Purity/Quality:

95% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(=O)C2=CN=CC=C2

Technology Process of (3-Chlorophenyl)(pyridin-3-yl)methanone

There total 5 articles about (3-Chlorophenyl)(pyridin-3-yl)methanone 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: 78.0%

(3-chlorophenyl)(pyridin-3-yl)methanol (62247-14-7) → (3-chlorophenyl)(pyridin-3-yl)methanone (62247-00-1)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 264h;

DOI:10.1021/ml5000228

Reference yield:

3-Bromopyridine (626-55-1,163928-56-1) + carbon monoxide (201230-82-2) + 3-chlorophenylboronic acid (63503-60-6) → (3-chlorophenyl)(pyridin-3-yl)methanone (62247-00-1) + 3-pyridin-3-yl chlorobenzene (5970-10-5)

Guidance literature:

With caesium carbonate; 1,3-bis(mesityl)imidazolium chloride; palladium diacetate; In 1,4-dioxane; at 120 ℃; for 30h; under 37503 Torr;

DOI:10.1016/j.tet.2006.11.008

Reference yield:

3-Bromopyridine (626-55-1,163928-56-1) → (3-chlorophenyl)(pyridin-3-yl)methanone (62247-00-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / cyclohexane; diethyl ether / 1 h / -78 °C

1.2: 2 h / 20 °C

2.1: manganese(IV) oxide / dichloromethane / 264 h

With manganese(IV) oxide; n-butyllithium; In diethyl ether; dichloromethane; cyclohexane;

DOI:10.1021/ml5000228

upstream raw materials:

3-Bromopyridine

carbon monoxide

3-chlorophenylboronic acid

m-Chlorobenzaldehyde

Downstream raw materials:

α-(3-Chlor-phenyl)-α-trichlormethyl-3-pyridinmethanol

(3-chlorophenyl)(2,4-dichloro-3-(methyl(phenyl)amino)quinolin-6-yl)(pyridin-3-yl)methanol

(4-Chloro-2-(diethylamino)-3-phenoxyquinolin-6-yl)(3-chlorophenyl)(pyridin-3-yl)methanol

(3-chlorophenyl)(2,4-dichloro-3-phenylquinolin-6-yl)(pyridin-3-yl)methanol

Refernces

• 1、 Maerten, Eddy,Sauthier, Mathieu,Mortreux, André,Castanet, Yves. "Palladium-N-heterocyclic carbene an efficient catalytic system for the carbonylative cross-coupling of pyridine halides with boronic acids". . p. 682 - 689. Retrieved 2007/10/03.