2-(2-Phenylethynyl)pyridine

Base Information

• Chemical Name: 2-(2-Phenylethynyl)pyridine
• CAS No.: 13141-42-9
• Molecular Formula: C13H9 N
• Molecular Weight: 179.221
• Hs Code.: 2933399090
• European Community (EC) Number: 236-077-4
• UNII: GXN9KA7YPX
• DSSTox Substance ID: DTXSID90157032
• Nikkaji Number: J145.974K
• Wikidata: Q83025157
• Mol file: 13141-42-9.mol

Synonyms:2-(2-Phenylethynyl)pyridine;2-(Phenylethynyl)pyridine;13141-42-9;Pyridine,2-(2-phenylethynyl)-;GXN9KA7YPX;EINECS 236-077-4;Pyridine, 2-(phenylethynyl)-;Pyridylphenylazetylene;UNII-GXN9KA7YPX;SCHEMBL1809895;2-(2-phenyl-ethynyl)-pyridine;DTXSID90157032;AKOS030239852;PYRIDINE, 2-(2-PHENYLETHYNYL)-;EN300-6479302;F2167-5306

Chemical Property of 2-(2-Phenylethynyl)pyridine

Chemical Property:

• Vapor Pressure: 0.000471mmHg at 25°C
• Boiling Point: 324.2°Cat760mmHg
• Flash Point: 140.2°C
• PSA: 12.89000
• Density: 1.12g/cm³
• LogP: 2.48140
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 179.073499291
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

2-(2-PHENYLETHYNYL)-PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=CC=N2

Technology Process of 2-(2-Phenylethynyl)pyridine

There total 76 articles about 2-(2-Phenylethynyl)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%

2-bromo-pyridine (109-04-6) + phenylacetylene (536-74-3) → 2-(2-phenylethynyl)pyridine (13141-42-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In toluene; at 60 ℃; for 16h;

DOI:10.1021/jo200664m

Reference yield: 100.0%

2-chloropyridine (109-09-1) + phenylacetylene (536-74-3) → 2-(2-phenylethynyl)pyridine (13141-42-9)

Guidance literature:

With pyrrolidine; bis(η3-allyl-μ-chloropalladium(II)); triphenylphosphine; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.tet.2009.06.009

Reference yield: 97.0%

2-ethynylpyridine (1945-84-2) + iodobenzene (591-50-4) → 2-(2-phenylethynyl)pyridine (13141-42-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 30 ℃; for 1h; Inert atmosphere; Sealed tube;

DOI:10.3762/bjoc.12.187

upstream raw materials:

pyridine

1-Phenyl-2-(trimethylsilyl)acetylene

pyridine N-oxide

2-bromo-pyridine

Downstream raw materials:

1-phenyl-2-pyridin-2-ylethanone

2-(2-phenylethyl)piperidine

2,4,6-Trimethyl-benzenesulfonate1-amino-2-phenylethynyl-pyridinium;

1-(2-Oxo-2-phenyl-ethyl)-2-phenylethynyl-pyridinium; bromide