1,3-Di(pyridin-4-yl)benzene

Base Information

• Chemical Name: 1,3-Di(pyridin-4-yl)benzene
• CAS No.: 170165-79-4
• Molecular Formula: C16H12N2
• Molecular Weight: 232.285
• European Community (EC) Number: 958-860-6
• Nikkaji Number: J1.416.648C
• Mol file: 170165-79-4.mol

Synonyms:1,3-Di(pyridin-4-yl)benzene;170165-79-4;4-(3-pyridin-4-ylphenyl)pyridine;4-(3-(pyridin-4-yl)phenyl)pyridine;YSWG451;SCHEMBL15411832;(1,3-di(pyridin-4-yl)benzene);VGA16579;MFCD30478638;AKOS030524956;Pyridine, 4,4'-(1,3-phenylene)bis-;DS-19318;CS-0110394;F52553;Z2755817643

Chemical Property of 1,3-Di(pyridin-4-yl)benzene

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.100048391
• Heavy Atom Count: 18
• Complexity: 218

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CC=NC=C2)C3=CC=NC=C3

Technology Process of 1,3-Di(pyridin-4-yl)benzene

There total 3 articles about 1,3-Di(pyridin-4-yl)benzene 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%

1,3-dibromobenzene (108-36-1) + 4-trimethylstannyl-pyridine (59020-06-3) → 1,3-bis(4-pyridyl)benzene (170165-79-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; lithium chloride; In toluene; at 110 ℃;

DOI:10.1016/00404-0399(50)0983J-

Reference yield:

1,3-Diiodobenzene (626-00-6) + 4-pyridylboronic acid (1692-15-5) → 1,3-bis(4-pyridyl)benzene (170165-79-4)

Guidance literature:

With trifluoroacetic acid;

Reference yield:

1,3-dibromobenzene (108-36-1) + 4-pyridineboronic acid pinacol ester (181219-01-2) → 1,3-bis(4-pyridyl)benzene (170165-79-4)

Guidance literature:

DOI:10.1002/cplu.201600231

upstream raw materials:

1,3-dibromobenzene

4-trimethylstannyl-pyridine

4-pyridineboronic acid pinacol ester

1,3-Diiodobenzene

Downstream raw materials:

Zn⁽²⁺⁾*C₁₆H₁₂N₂*C₅H₆O₄^(2-)