4-(4-Bromophenyl)pyridine

Base Information

• Chemical Name: 4-(4-Bromophenyl)pyridine
• CAS No.: 39795-60-3
• Molecular Formula: C11H8BrN
• Molecular Weight: 234.095
• Hs Code.: 2933399090
• European Community (EC) Number: 810-947-9
• DSSTox Substance ID: DTXSID501312251
• Nikkaji Number: J2.633.601E
• Mol file: 39795-60-3.mol

Synonyms:4-(4-Bromophenyl)pyridine;39795-60-3;Pyridine, 4-(4-bromophenyl)-;4-(4-BROMO-PHENYL)-PYRIDINE;MFCD00956748;4-(pyrid-4-yl)bromobenzene;4-(4-brom-phenyl)-pyridine;SCHEMBL1773352;4-(Pyridin-4-yl)-bromobenzene;DTXSID501312251;BCP22853;AKOS015835678;AM85753;CS-W006114;DS-15381;SY038030;A4540;B4663;FT-0687528;EN300-212989;10.14272/GYJBDJGUNDKZKO-UHFFFAOYSA-N.1;doi:10.14272/GYJBDJGUNDKZKO-UHFFFAOYSA-N.1

Chemical Property of 4-(4-Bromophenyl)pyridine

Chemical Property:

• Melting Point: 220-224 °C(lit.)
• Boiling Point: 318.782 °C at 760 mmHg
• PKA: 5.34±0.10(Predicted)
• Flash Point: 146.594 °C
• PSA: 29.10000
• Density: 1.426 g/cm³
• LogP: 2.08170
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.98401
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Bromophenyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R26;R36/37:
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=NC=C2)Br

Technology Process of 4-(4-Bromophenyl)pyridine

There total 24 articles about 4-(4-Bromophenyl)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: 80.0%

1,4-bromoiodobenzene (589-87-7) + 4-pyridylboronic acid (1692-15-5) → 4-(4-bromophenyl)pyridine (39795-60-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; at 80 ℃; for 12h; Inert atmosphere;

Reference yield: 80.0%

1.4-dibromobenzene (106-37-6) + 4-pyridylboronic acid (1692-15-5) → 4-(4-bromophenyl)pyridine (39795-60-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,4-dioxane; water; toluene; at 85 ℃; for 48h; Inert atmosphere;

DOI:10.1002/ejoc.201801232

Reference yield: 60.0%

4-bromopyridine hydrochloride (19524-06-2) + (4-bromophenyl)magnesium bromide (18620-02-5) → 4-(4-bromophenyl)pyridine (39795-60-3)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; for 12h;

DOI:10.1016/S0040-4039(00)93977-7

upstream raw materials:

pyridine

acetic acid-(4-bromo-N-nitroso-anilide)

(4-bromophenyl)diazonium chloride

[(4-bromophenyl)diazenyl](phenyl)methyl hydroperoxide

Downstream raw materials:

4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine