2-Chloro-3-phenylpyridine

Base Information

• Chemical Name: 2-Chloro-3-phenylpyridine
• CAS No.: 31557-57-0
• Molecular Formula: C11H8ClN
• Molecular Weight: 189.644
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90376468
• Nikkaji Number: J666.760K
• Wikidata: Q72457463
• Mol file: 31557-57-0.mol

Synonyms:2-chloro-3-phenylpyridine;31557-57-0;2-chloro-3-phenyl-pyridine;SCHEMBL3327536;DTXSID90376468;GUIPMNNQJZQJFU-UHFFFAOYSA-N;MFCD04114133;AKOS006295151;CS-0194721;FT-0691612;E89738;1H-Pyrrole, 3-ethyl-2-methyl-4-(trifluoromethyl)-

Chemical Property of 2-Chloro-3-phenylpyridine

Chemical Property:

• Vapor Pressure: 0.00255mmHg at 25°C
• Melting Point: 55-56℃
• Refractive Index: 1.588
• Boiling Point: 296.3 °C at 760 mmHg
• Flash Point: 161 °C
• PSA: 12.89000
• Density: 1.186 g/cm³
• LogP: 3.40200
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.0345270
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-3-phenylpyridine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3-phenylpyridine

There total 11 articles about 2-Chloro-3-phenylpyridine 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: 91.0%

3-phenylpyridine-2-carboxylic acid (103863-15-6) → 2-chloro-3-phenyl-pyridine (31557-57-0)

Guidance literature:

With tert.-butylhydroperoxide; sodium carbonate; sodium chloride; In tetrahydrofuran; at 80 ℃; for 20h; Schlenk technique;

Reference yield: 85.0%

3-bromo-2-chloropyridine (52200-48-3) + potassium phenyltrifluoborate → 2-chloro-3-phenyl-pyridine (31557-57-0)

Guidance literature:

With palladium diacetate; sodium carbonate; In ethanol; water; at 80 ℃; for 4h;

DOI:10.1002/aoc.4831

Reference yield: 73.0%

2-chloronicotinic acid (2942-59-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-chloro-3-phenyl-pyridine (31557-57-0)

Guidance literature:

With diethyl bromomethylmalonate; [4,4′-di-tert-butyl-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C}iridium(III) hexafluorophosphate; caesium carbonate; at 55 ℃; for 22h; Irradiation;

DOI:10.1039/c6sc05533h

upstream raw materials:

benzene

3-phenylpyridine N-oxide

N-(2-chloro-3-pyridinyl)acetamide

3-bromo-2-chloropyridine

Downstream raw materials:

2-methoxy-3-phenylpyridine

4,4-dimethyl-1-[4-[4-(3-phenyl-2-pyridinyl)-1-piperazinyl]butyl]-2,6-piperidinedione

3-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-1-thia-3-aza-spiro[4.4]nonane-2,4-dione

4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione