Pyridine, 2-(5-phenyl-3-isoxazolyl)-

Base Information

• Chemical Name: Pyridine, 2-(5-phenyl-3-isoxazolyl)-
• CAS No.: 62218-63-7
• Molecular Formula: C14H10N2O
• Molecular Weight: 222.246
• DSSTox Substance ID: DTXSID80466165
• Nikkaji Number: J1.735.283K
• Wikidata: Q82292659
• Mol file: 62218-63-7.mol

Synonyms:Pyridine, 2-(5-phenyl-3-isoxazolyl)-;62218-63-7;SCHEMBL7448259;DTXSID80466165

Chemical Property of Pyridine, 2-(5-phenyl-3-isoxazolyl)-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.079312947
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=CC=N3

Technology Process of Pyridine, 2-(5-phenyl-3-isoxazolyl)-

There total 15 articles about Pyridine, 2-(5-phenyl-3-isoxazolyl)- 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: 87.0%

2-pyridinealdoxime (873-69-8) + phenylacetylene (536-74-3) → 2-(5-phenyl-isoxazol-3-yl)-pyridine (62218-63-7)

Guidance literature:

With sodium hypochlorite; triethylamine; In dichloromethane; water; at 0 ℃;

DOI:10.1111/jphp.12180

Reference yield: 82.0%

1-phenyl-3-(2-pyridyl)propen-1-one (5325-66-6,20890-12-4,72491-18-0) → 2-(5-phenyl-isoxazol-3-yl)-pyridine (62218-63-7)

Guidance literature:

1-phenyl-3-(2-pyridyl)propen-1-one; With p-toluenesulfonylhydroxylamine; potassium carbonate; In methanol; water; at 40 ℃; for 10h;

With potassium carbonate; In methanol; water; for 4h; regiospecific reaction; Reflux;

DOI:10.1021/ol901626n

Reference yield: 65.0%

1-phenyl-3-(pyridine-2-yl)prop-2-yn-1-one → 2-(5-phenyl-isoxazol-3-yl)-pyridine (62218-63-7)

Guidance literature:

With trimethylsilylazide; In Trichloroethylene; at 20 ℃; for 12h;

DOI:10.1039/c6cc02047j

upstream raw materials:

1-phenyl-3-pyridin-2-yl-propane-1,3-dione

N-hydroxypyridine-2-carboximidoyl chloride hydrochloride

phenylacetylene

2-(5'-iodoisoxazol-3'-yl)pyridine

Downstream raw materials:

5-phenyl-2-(pyridin-2-yl)oxazole