3-Phenylpyridine

Base Information

• Chemical Name: 3-Phenylpyridine
• CAS No.: 1008-88-4
• Molecular Formula: C11H9N
• Molecular Weight: 155.199
• Hs Code.: 2933 39 99
• European Community (EC) Number: 213-762-6
• UNII: EDZ6KB7JVC
• DSSTox Substance ID: DTXSID0061404
• Nikkaji Number: J45.969K
• Wikidata: Q27277127
• Metabolomics Workbench ID: 131981
• ChEMBL ID: CHEMBL34657
• Mol file: 1008-88-4.mol

Synonyms:3-phenylpyridine

Chemical Property of 3-Phenylpyridine

Chemical Property:

• Appearance/Colour: Colourless oil
• Vapor Pressure: 0.01mmHg at 25°C
• Melting Point: 164°C
• Refractive Index: n20/D 1.616(lit.)
• Boiling Point: 273.499 °C at 760 mmHg
• PKA: 4.85±0.10(Predicted)
• Flash Point: 119.297 °C
• PSA: 12.89000
• Density: 1.049 g/cm³
• LogP: 2.74860
• Storage Temp.: Store below +30°C.
• Solubility.: Soluble in chloroform, dichloromethane and ethyl acetate.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.073499291
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

3-Phenylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=CC=C2
• Uses: 3-Phenylpyridine is a useful synthetic intermediate. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. 3-Phenylpyridine can be a useful synthetic intermediate.

Technology Process of 3-Phenylpyridine

There total 263 articles about 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: 99.0%

3-Chloropyridine (626-60-8) + potassium phenyltrifluoborate → 3-phenylpyridine (1008-88-4)

Guidance literature:

With N-methyl-2-phenyl-3-(dicyclohexylphosphino)-1H-indole; palladium diacetate; triethylamine; sodium t-butanolate; In water; at 100 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1055/s-0033-1338660

Reference yield: 99.0%

3-Chloropyridine (626-60-8) + tributylphenylstannane (960-16-7) → 3-phenylpyridine (1008-88-4)

Guidance literature:

With P(i-BuNCH₂CH₂)3N; cesium fluoride; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In 1,4-dioxane; at 100 - 110 ℃; for 36h;

DOI:10.1021/ol0495927

Reference yield: 99.0%

3-Bromopyridine (626-55-1,163928-56-1) + 2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) → 3-phenylpyridine (1008-88-4)

Guidance literature:

With potassium carbonate; In water; at 20 ℃; for 6h;

DOI:10.1002/chem.201302621

upstream raw materials:

pyridine

N-nitrosoacetanilide

1-methyl-4-nitrosobenzene

diphenyliodonium chloride

Downstream raw materials:

2,5-diphenylpyridine

N-(2',4'-dinitrophenyl)-3-phenylpyridinium chloride

1-methyl-5-phenylpyridin-2(1H)-one

nicotinic acid