4-[4-(Bromomethyl)phenyl]-2,6-dipyridin-2-ylpyridine

Base Information

• Chemical Name: 4-[4-(Bromomethyl)phenyl]-2,6-dipyridin-2-ylpyridine
• CAS No.: 89972-78-1
• Molecular Formula: C22H16 Br N3
• Molecular Weight: 402.293
• DSSTox Substance ID: DTXSID101239803
• Nikkaji Number: J1.077.096C
• Mol file: 89972-78-1.mol

Synonyms:89972-78-1;4'-[4-(Bromomethyl)phenyl]-2,2':6',2''-terpyridine;4-[4-(Bromomethyl)phenyl]-2,6-dipyridin-2-ylpyridine;4'-[4-(BROMOMETHYL)PHENYL]-2,2';4'-(4-bromomethylphenyl)-2,2':6',2''-terpyridine;4'-(4-(Bromomethyl)phenyl)-2,2':6',2''-terpyridine;2,2':6',2''-Terpyridine,4'-[4-(bromomethyl)phenyl]-;SCHEMBL4812728;YSZC3253;PDMCFFPNVJVAOC-UHFFFAOYSA-N;DTXSID101239803;J-400532;4'-(4-bromomethylphenyl)-[2,2':6',2'']terpyridine;4'-[4-(BROMOMETHYL)PHENYL]-2,2':6',2'-TERPYRIDINE

Chemical Property of 4-[4-(Bromomethyl)phenyl]-2,6-dipyridin-2-ylpyridine

Chemical Property:

• Boiling Point: 529.7oC at 760 mmHg
• Flash Point: 274.1oC
• PSA: 38.67000
• Density: 1.366g/cm3
• LogP: 5.76750
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 401.05276
• Heavy Atom Count: 26
• Complexity: 398

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)CBr

Technology Process of 4-[4-(Bromomethyl)phenyl]-2,6-dipyridin-2-ylpyridine

There total 13 articles about 4-[4-(Bromomethyl)phenyl]-2,6-dipyridin-2-ylpyridine 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: 90.0%

4'-(4-methylphenyl)-2,2':6',2-terpyridine (89972-77-0) → 4'-(4-bromomethylphenyl)-2,2':6',2''-terpyridine (89972-78-1)

Guidance literature:

With N-Bromosuccinimide; In benzene; Heating; Irradiation;

DOI:10.1016/S0040-4039(00)79442-1

Reference yield: 56.0%

4'-(4-methylphenyl)-2,2':6',2-terpyridine (89972-77-0) → 4'-(4-(dibromomethyl)phenyl)-2,2':6',2''-terpyridine (1228765-22-7) + 4'-(4-bromomethylphenyl)-2,2':6',2''-terpyridine (89972-78-1)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 2h; Reflux;

DOI:10.1007/s11172-012-0322-0

Reference yield:

2-acetylpyridine (1122-62-9) → 4'-(4-bromomethylphenyl)-2,2':6',2''-terpyridine (89972-78-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) CH₃COONH₄, CH₃CONH₂, 2.) Fe³⁺, H₂O₂, NaOH / 1.) reflux, 4 h

2: 85 percent / NBS, (PhCOO)2 / benzene / 18 h / Heating

With acetamide; sodium hydroxide; N-Bromosuccinimide; ammonium acetate; dihydrogen peroxide; iron(III); dibenzoyl peroxide; In benzene;

DOI:10.1021/ja981742j

upstream raw materials:

4'-(4-methylphenyl)-2,2':6',2-terpyridine

2-acetylpyridine

4-methyl-benzaldehyde

1-(2-oxo-2-(2-pyridyl)ethyl)pyridinium iodide

Downstream raw materials:

C₅₆H₅₆N₈O₄

4'-[4-(1,4,10,13-Tetraoxa-7,16-diaza-cyclooctadec-7-ylmethyl)-phenyl]-[2,2';6',2'']terpyridine

4'-{p-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl}-2,2':6',2'-terpyridine

C₁₀H₂₄N₅CH₂-1,4-CH₂C₆H₄-C₅H₂N(C₅H₄N)2