1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene

Base Information

• Chemical Name: 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene
• CAS No.: 146406-75-9
• Molecular Formula: C36H24 N6
• Molecular Weight: 540.627
• Hs Code.: 2933399090
• European Community (EC) Number: 634-306-6
• DSSTox Substance ID: DTXSID80408363
• Nikkaji Number: J580.414K
• Wikidata: Q82213829
• Mol file: 146406-75-9.mol

Synonyms:146406-75-9;1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene;4',4''''-(1,4-Phenylene)bis(2,2':6',2''-terpyridine);4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine;MFCD02093699;1,4-Di[[2,2':6',2''-terpyridin]-4'-yl]benzene;2,2':6',2''-Terpyridine, 4',4''''-(1,4-phenylene)bis-;YSWG426;SCHEMBL2007559;DTXSID80408363;WFA40675;AKOS015914696;CS-W011469;SY052984;B4194;A855793;1,4-bis(2,2':6',2''-terpyridin-4'-yl)benzene;J-400428;1,4-Bis([2,2':6',2''-terpyridin]-4'-yl)benzene;4',4''''-(1,4-Phenylene)bis(2,2':6',2''-terpyridine), 96%;2~4~,3~4~-(1,4-Phenylene)di(1~2~,2~2~:2~6~,3~2~-terpyridine);1,4-Di([2,2 inverted exclamation mark :6 inverted exclamation mark ,2 inverted exclamation mark inverted exclamation mark -terpyridin]-4 inverted exclamation mark -yl)benzene

Chemical Property of 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene

Chemical Property:

• Melting Point: 340 °C (dec.)(lit.)
• Boiling Point: 727.8°Cat760mmHg
• PKA: 4.73±0.22(Predicted)
• Flash Point: 403.7°C
• PSA: 77.34000
• Density: 1.227g/cm³
• LogP: 8.05860
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 540.20624479
• Heavy Atom Count: 42
• Complexity: 697

Purity/Quality:

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

4'',4''''''''-(1,4-Phenylene)Bis(2,2'':6'',2''''-Terpyridine) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7

Technology Process of 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene

There total 8 articles about 1,4-Di([2,2':6',2''-terpyridin]-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: 86.0%

terephthalaldehyde, (623-27-8) + 2-isopropenylpyridine (6515-13-5) → 1,4-bis(2,2':6',2''-terpyridin-4-yl)benzene (146406-75-9)

Guidance literature:

With ammonium hydroxide; sodium hydroxide; In ethanol; at 20 ℃; for 4h;

Reference yield: 77.0%

2-acetylpyridine (1122-62-9) + terephthalaldehyde, (623-27-8) → 1,4-bis(2,2':6',2''-terpyridin-4-yl)benzene (146406-75-9)

Guidance literature:

With ammonium hydroxide; potassium tert-butylate; In ethanol; for 20h; Inert atmosphere;

DOI:10.1016/j.ica.2020.119806

Reference yield: 72.0%

1,4-bis<1,5-dioxo-1,5-bis(2-pyridyl)pentan-3-yl>benzene → 1,4-bis(2,2':6',2''-terpyridin-4-yl)benzene (146406-75-9)

Guidance literature:

With ammonium acetate; In ethanol; for 120h; Reflux;

DOI:10.1039/c5tc01703c

upstream raw materials:

3-[4-(3-oxo-3-pyridin-2-yl-propenyl)-phenyl]-1-pyridin-2-yl-propenone

2-acetylpyridine

terephthalaldehyde,

methyl (4-pyridyl) ketone

Downstream raw materials:

[Pt(C₆F₄CF₃)2C₃₆H₂₄N₆]

[(Pt(C₆F₄CF₃)2)2C₃₆H₂₄N₆]

Refernces

• 1、 Howlader, Prodip,Mondal, Bijnaneswar,Purba, Prioti Choudhury,Zangrando, Ennio,Mukherjee, Partha Sarathi. "Self-Assembled Pd(II) Barrels as Containers for Transient Merocyanine Form and Reverse Thermochromism of Spiropyran". . p. 7952 - 7960. Retrieved 2018.
• 2、 Duerrbeck, Andre,Gorelik, Sergey,Hobley, Jonathan,Yong, Anna Marie,Subramanian, Gomathy Sandhya,Hor, Andy,Long, Nicholas. "New solid-state Eu(III)-containing metallo-supramolecular polymers: Morphology control and optical wave-guiding properties". . p. 8992 - 9002. Retrieved 2015.
• 3、 Singh, Pallavi,Rana, Prem Jyoti Singh,Kar, Prasenjit. "Wirelike dinuclear ruthenium(II)polyterpyridine complexes based on D–P–A architecture: Experimental and theoretical investigation". . p. 170 - 180. Retrieved 2017.
• 4、 Bahrami, Kiumars,Targhan, Homa. "A new strategy to design a graphene oxide supported palladium complex as a new heterogeneous nanocatalyst and application in carbon–carbon and carbon-heteroatom cross-coupling reactions". . . Retrieved 2019/04/01.