3-(4-Bromophenyl)pyridine

Base Information

• Chemical Name: 3-(4-Bromophenyl)pyridine
• CAS No.: 129013-83-8
• Molecular Formula: C11H8BrN
• Molecular Weight: 234.095
• Hs Code.: 2933399090
• European Community (EC) Number: 807-991-6
• DSSTox Substance ID: DTXSID50363915
• Nikkaji Number: J1.213.552A
• Wikidata: Q72511259
• Mol file: 129013-83-8.mol

Synonyms:3-(4-bromophenyl)pyridine;129013-83-8;Pyridine, 3-(4-bromophenyl)-;3-(4-Bromo-phenyl)-pyridine;MFCD04116232;4-(pyrid-3-yl)bromobenzene;SCHEMBL999865;4-(Pyridin-3-yl)bromobenzene;DTXSID50363915;BCP22874;AKOS015899529;AM62646;BCP9000076;BCP9000119;CS-W019119;DS-13306;SY047650;B4617;EN300-316959;A846193

Chemical Property of 3-(4-Bromophenyl)pyridine

Chemical Property:

• Vapor Pressure: 0.000291mmHg at 25°C
• Melting Point: 38.0 to 42.0 °C
• Refractive Index: 1.606
• Boiling Point: 331.9 °C at 760 mmHg
• PKA: 4.70±0.10(Predicted)
• Flash Point: 154.5 °C
• PSA: 12.89000
• Density: 1.426g/cm³
• LogP: 3.51110
• Storage Temp.: 0-10°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.98401
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Bromophenyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)Br

Technology Process of 3-(4-Bromophenyl)pyridine

There total 16 articles about 3-(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: 92.0%

1,4-bromoiodobenzene (589-87-7) + 3-pyridylboronic acid (1692-25-7) → 3-(4-bromophenyl)pyridine (129013-83-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; for 1.5h; Inert atmosphere; Reflux;

Reference yield: 84.0%

1,4-bromoiodobenzene (589-87-7) + pyridine-3-boronic acid 1,3-propanediol cyclic ester (131534-65-1) → 3-(4-bromophenyl)pyridine (129013-83-8)

Guidance literature:

With sodium carbonate; triphenylphosphine; palladium dichloride; In ethanol; water; toluene; at 70 ℃; for 24h;

DOI:10.1002/anie.201812926

Reference yield: 77.0%

bis(4-fluorophenyl)methanone O-(4-(pyridin-3-yl)benzoyl)oxime → 3-(4-bromophenyl)pyridine (129013-83-8)

Guidance literature:

With Bromotrichloromethane; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; In ethyl acetate; for 12h; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201904671

upstream raw materials:

3-phenylpyridine

1,4-bromoiodobenzene

3-(trimethylstannyl)pyridine

3-Bromopyridine

Downstream raw materials:

3-[4’-(diethylboryl)phenyl]pyridine

3,3(2,2-Dimethyltrimethylenedioxy)-11beta-[4-(3-pyridyl)phenyl]-9-estrene-5alpha,17beta-diol

2-phenyl-3-[4'-(3-pyridyl)biphenyl-4-yl]quinoxaline

C₂₃H₂₃NO₅