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

Base Information

• Chemical Name: 4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
• CAS No.: 89972-75-8
• Molecular Formula: C21H14 Cl N3
• Molecular Weight: 343.815
• Hs Code.: 29333990
• European Community (EC) Number: 623-386-8
• DSSTox Substance ID: DTXSID60446622
• Nikkaji Number: J1.559.016E
• Wikidata: Q82265333
• Mol file: 89972-75-8.mol

Synonyms:89972-75-8;4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine;4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine;4'-(4-CHLOROPHENYL)-2,2';4'-(4-Chlorophenyl)-2, 2':6', 2-terpyridine;2,2':6',2''-Terpyridine,4'-(4-chlorophenyl)-;4'-(4-Chlorophenyl)-2, 2':6', 2''-terpyridine;4-(4-CHLOROPHENYL)-2,2:6,2-TERPYRIDINE;SCHEMBL699036;DTXSID60446622;BCP20523;MFCD06796985;CS-W018454;AS-75875;4-(4-chloropheny)-2,2:6" 2"-Terpyridine;D96162;J-400388;4'-(4-Chlorophenyl)-2, 2':6', 2"-terpyridine, 97%;2~4~-(4-Chlorophenyl)-1~2~,2~2~:2~6~,3~2~-terpyridine

Chemical Property of 4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine

Chemical Property:

• Melting Point: 168-172 °C
• Boiling Point: 497.0±40.0 °C(Predicted)
• PKA: 4.54±0.22(Predicted)
• Flash Point: 286.1oC
• PSA: 38.67000
• Density: 1.241±0.06 g/cm3(Predicted)
• LogP: 5.52600
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 343.0876252
• Heavy Atom Count: 25
• Complexity: 384

Purity/Quality:

98%,99%, ^*data from raw suppliers

4′-(4-Chlorophenyl)-2, 2′:6′, 2?″-terpyridine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

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)Cl
• Uses: Terpyridine ligands (building block) for making organometallic complexes used in solar cells.

Technology Process of 4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine

There total 7 articles about 4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine 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%

2-acetylpyridine (1122-62-9) + 4-chlorobenzaldehyde (104-88-1) → 4’-(4-chlorophenyl)-2,2’:6’,2’’-terpyridine (89972-75-8)

Guidance literature:

With ammonium acetate; In water; at 130 ℃; for 0.266667h; microwave irradiation;

DOI:10.1016/j.tet.2006.10.069

Reference yield: 85.0%

1-(2-oxo-2-(2-pyridyl)ethyl)pyridinium iodide (26482-00-8) + (E)‐3‐(4‐chlorophenyl)‐1‐(pyridin‐2‐yl)prop‐2‐en‐1‐one (16231-98-4) → 4’-(4-chlorophenyl)-2,2’:6’,2’’-terpyridine (89972-75-8)

Guidance literature:

With ammonium acetate; In acetic acid; Heating;

DOI:10.1039/b102685m

Reference yield: 32.0%

(±)-((1S,2S,3R,4S,6S)-2,6-bis(4-chlorophenyl)-4-hydroxy-4-(pyridin-2-yl)cyclohexane-1,3-diyl)-bis(pyridin-2-ylmethanone) → 4’-(4-chlorophenyl)-2,2’:6’,2’’-terpyridine (89972-75-8)

Guidance literature:

With ammonium acetate; In ethanol; for 24h; Heating;

upstream raw materials:

acetamide

2-acetylpyridine

4-chlorobenzaldehyde

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

Downstream raw materials:

CuCl(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-quinoline-3-carboxylate)(4'-(4-chlorophenyl)-2,2':6',2''-terpyridine)