4-Bromo-2-phenylpyridine

Base Information

• Chemical Name: 4-Bromo-2-phenylpyridine
• CAS No.: 98420-98-5
• Molecular Formula: C11H8BrN
• Molecular Weight: 234.095
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40542252
• Nikkaji Number: J2.390.357A
• Wikidata: Q72511281
• Mol file: 98420-98-5.mol

Synonyms:4-BROMO-2-PHENYLPYRIDINE;98420-98-5;Pyridine, 4-bromo-2-phenyl-;Pyridine,4-bromo-2-phenyl-;2-phenyl-4-bromopyridine;4-bromo -2-phenylpyridine;4-bromo-2-phenyl-pyridine;SCHEMBL4803;DTXSID40542252;HCQHVQSQHXZRGA-UHFFFAOYSA-N;MFCD11656282;AKOS015945624;FD10576;CS-0149623;A850484;J-514689;Fudosteine/(R)-2-Amino-3-(3-hydroxypropylthio)propionic acid

Chemical Property of 4-Bromo-2-phenylpyridine

Chemical Property:

• PSA: 12.89000
• LogP: 3.51110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.98401
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-phenylpyridine ^*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=NC=CC(=C2)Br
• Uses: 4-Bromo-2-phenylpyridine can be used to prepare NLRP3 inhibitors to treat various diseases.

Technology Process of 4-Bromo-2-phenylpyridine

There total 14 articles about 4-Bromo-2-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: 89.0%

2,4-dibromopyridine (58530-53-3) + 2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) → 2-bromo-4-phenylpyridine (54151-74-5) + 4-bromo-2-phenyl pyridine (98420-98-5)

Guidance literature:

With palladium diacetate; triphenylphosphine; potassium hydroxide; In acetonitrile; for 24h; Reagent/catalyst; Temperature; regioselective reaction; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2013.10.065

Reference yield: 85.0%

2,4-dibromopyridine (58530-53-3) + phenylboronic acid (98-80-6) → 2-bromo-4-phenylpyridine (54151-74-5) + 2,4-diphenylpyridine (26274-35-1) + 4-bromo-2-phenyl pyridine (98420-98-5)

Guidance literature:

With potassium phosphate; johnphos; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In toluene; at 40 ℃; for 24h;

DOI:10.1016/j.tet.2006.09.040

Reference yield: 65.0%

2,4-dibromopyridine (58530-53-3) + 2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) → 2,4-diphenylpyridine (26274-35-1) + 4-bromo-2-phenyl pyridine (98420-98-5)

Guidance literature:

With 2-(diphenylphosphino)pyridine; palladium diacetate; potassium hydroxide; In acetonitrile; at 30 ℃; for 24h; regioselective reaction; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2013.10.065

upstream raw materials:

4-Bromo-2-phenyl-2H-pyridine-1-carboxylic acid phenyl ester

2,4-dibromopyridine

phenylboronic acid

phenylmagnesium chloride

Downstream raw materials:

C₃₂H₃₅NO₂

2-phenyl-4-(2-(2-phenylpyridin-4-yl)ethynyl)pyridine

4-ethynyl-2-phenylpyridine

2-phenyl-4-(4-(2-phenylpyridin-4-yl)phenyl)pyridine