2-(4-Fluorophenyl)pyridine

Base Information

• Chemical Name: 2-(4-Fluorophenyl)pyridine
• CAS No.: 58861-53-3
• Molecular Formula: C11H8 F N
• Molecular Weight: 173.19
• Hs Code.: 2933399090
• European Community (EC) Number: 261-473-9
• DSSTox Substance ID: DTXSID60207573
• Nikkaji Number: J297.042B
• Wikidata: Q72476392
• Mol file: 58861-53-3.mol

Synonyms:2-(4-Fluorophenyl)pyridine;58861-53-3;C11H8FN;EINECS 261-473-9;2-(4-fluorophenyl)-pyridine;SCHEMBL1358217;Pyridine, 2-(4-fluorophenyl)-;DTXSID60207573;C11-H8-F-N;AMY32745;BCP12911;AKOS005263746;SB67048;DS-14426;CS-0060614;F0727;FT-0654497;EN300-88037;W17600;A832045

Chemical Property of 2-(4-Fluorophenyl)pyridine

Chemical Property:

• Vapor Pressure: 0.0127mmHg at 25°C
• Melting Point: 38.0 to 42.0 °C
• Refractive Index: 1.556
• Boiling Point: 268.4ºC at 760 mmHg
• PKA: 4.50±0.25(Predicted)
• Flash Point: 116.1ºC
• PSA: 12.89000
• Density: 1.138g/cm3
• LogP: 2.88770
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.064077422
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Fluorophenyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=CC=C(C=C2)F

Technology Process of 2-(4-Fluorophenyl)pyridine

There total 73 articles about 2-(4-Fluorophenyl)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-chloropyridine (109-09-1) + 4-fluoroboronic acid (1765-93-1) → 4-fluorophenylpyridine (58861-53-3)

Guidance literature:

With palladium diacetate; potassium carbonate; triphenylphosphine; In 1,2-dimethoxyethane; Inert atmosphere; Reflux;

DOI:10.1016/j.jorganchem.2014.10.037

Reference yield: 99.0%

2-bromo-pyridine (109-04-6) + 4-fluoroboronic acid (1765-93-1) → 4-fluorophenylpyridine (58861-53-3)

Guidance literature:

With potassium phosphate tribasic heptahydrate; palladium diacetate; In ethylene glycol; at 80 ℃; for 0.333333h;

DOI:10.1002/ejoc.201000962

Reference yield: 98.0%

2-bromo-pyridine (109-04-6) + ((2-(4-fluorophenyl)-5-methyl-1,3,2-dioxaborinan-5-yl)methoxy)trimethylsilane (1352708-15-6) → 4-fluorophenylpyridine (58861-53-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; at 100 ℃; for 18h; Inert atmosphere;

DOI:10.1039/c3ob42099j

upstream raw materials:

pyridine

4-fluoroaniline

2-chloropyridine

1-Bromo-4-fluorobenzene

Downstream raw materials:

PtCl(FC₆H₄C₅NH₄)(FC₆H₃C₅NH₄)

C₁₇H₁₈FNO₂

2-[(2-benzoyloxy-4-fluoro)phenyl]pyridine

(5-fluoro-2-(pyridin-2-yl)phenyl)(phenyl)methanone

Refernces

• 1、 Chen, Shuonan,Gai, Xi,Liang, Jie,Liu, Yu,Wang, Yue,Ye, Kaiqi. "Highly efficient phosphorescent organic light-emitting diodes based on novel bipolar iridium complexes with easily-tuned emission colors by adjusting fluorine substitution on phenylpyridine ligands". . p. 8329 - 8336. Retrieved 2021/07/13.
• 2、 Kawai, Yuya,Liao, Yumeng,Matsuda, Takanori,Suzuki, Hirotsugu. "Rhodium-Catalyzed Additive-Free C?H Ethoxycarbonylation of (Hetero)Arenes with Diethyl Dicarbonate as a CO Surrogate". supporting information. p. 4938 - 4942. Retrieved 2021/09/30.