(4-Chloropyridin-3-yl)(phenyl)methanone

Base Information

• Chemical Name: (4-Chloropyridin-3-yl)(phenyl)methanone
• CAS No.: 109575-05-5
• Molecular Formula: C12H8ClNO
• Molecular Weight: 217.655
• DSSTox Substance ID: DTXSID30547094
• Nikkaji Number: J2.777.036C
• Wikidata: Q82425114
• Mol file: 109575-05-5.mol

Synonyms:109575-05-5;(4-Chloropyridin-3-yl)(phenyl)methanone;SCHEMBL5700207;DTXSID30547094

Chemical Property of (4-Chloropyridin-3-yl)(phenyl)methanone

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.0294416
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Chloropyridin-3-yl)(phenyl)methanone

There total 9 articles about (4-Chloropyridin-3-yl)(phenyl)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: 98.0%

rac-4-chloro-3-[hydroxy(phenyl)methyl]pyridine (109574-95-0) → (4-chloropyridin-3-yl)(phenyl)methanone (109575-05-5)

Guidance literature:

With chromium(VI) oxide; In acetone; for 3h; Ambient temperature;

DOI:10.1055/s-1986-31817

Reference yield: 85.0%

4-chloro-nicotinonitrile (89284-61-7) + phenylboronic acid (98-80-6) → (4-chloropyridin-3-yl)(phenyl)methanone (109575-05-5)

Guidance literature:

With trifluorormethanesulfonic acid; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine; In water; at 90 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2014.11.009

Reference yield: 59.0%

4-chlorpyridine hydrochloride (7379-35-3) + N,N-dimethylbenzamide (611-74-5) → (4-chloropyridin-3-yl)(phenyl)methanone (109575-05-5)

Guidance literature:

4-chlorpyridine hydrochloride; With n-butyllithium; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 0.166667h;

N,N-dimethylbenzamide; In tetrahydrofuran; hexane; at -78 ℃; for 5h;

upstream raw materials:

rac-4-chloro-3-[hydroxy(phenyl)methyl]pyridine

4-Chloropyridine

benzaldehyde

N-methoxy-N-methylbenzamide

Downstream raw materials:

3-benzoyl-4-(2-phthalimidoethoxy)pyridine

(4-methoxy-3-pyridyl)phenylmethanone

3-benzoyl-4-(2-hydroxy-1,1-dimethylethylamino)pyridine

(4-aminopyridin-3-yl)(phenyl)methanone