Dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene

Base Information

• Chemical Name: Dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene
• CAS No.: 188-90-9
• Molecular Formula: C₃₂H₁₆
• Molecular Weight: 400.479
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID10510024
• Nikkaji Number: J1.062.186K
• Wikidata: Q82368032
• Mol file: 188-90-9.mol

Synonyms:Dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene;188-90-9;nonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5(10),6,8,11,14,17(30),18,20(29),21,23(28),24,26-hexadecaene;DTXSID10510024

Chemical Property of Dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene

Chemical Property:

• PSA: 0.00000
• LogP: 9.22560
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 400.125200510
• Heavy Atom Count: 32
• Complexity: 704

Purity/Quality:

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

DINAPHTHO[2,1,8,7-DEFG:2',1',8',7'-IJKL]PENTAPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=C4C5=CC6=CC=CC7=C6C8=C(C=C7)C=CC(=C58)C9=C4C3=C(C=C2)C=C9

Technology Process of Dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene

There total 9 articles about Dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene 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: 65.0%

7,7'-di-tert-butyl-1,1'-bipyrenyl (1123568-81-9) → dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene (188-90-9)

Guidance literature:

With aluminum (III) chloride; sodium chloride; at 120 ℃; for 0.333333h;

DOI:10.1039/c3cc45235b

Reference yield: 60.0%

1,1'-dipyrenyl (5101-26-8) → dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene (188-90-9)

Guidance literature:

With aluminium trichloride; sodium chloride; In melt;

DOI:10.1002/(SICI)1099-0690(199901)1999:1<37::AID-EJOC37>3.0.CO;2-W

Reference yield: 40.0%

4,4’-bipyrenyl (96631-99-1) → dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene (188-90-9)

Guidance literature:

With iron(III) chloride; In nitromethane; dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c3cc45235b

upstream raw materials:

1-chloropyrene

1-bromopyrene

1,1'-dipyrenyl

pyrene

Refernces

• 1、 Benshafrut, Ronnie,Rabinovitz, Mordecai,Hoffman, Roy E.,Ben-Mergui, Naama,Muellen, Klaus,Iyer, Vivekanantan S.. "π-Conjugated benzoperylenes: Sequential C-S bond cleavage and charge distribution patterns of the anions". . p. 37 - 48. Retrieved 2007/10/03.
• 2、 Buchanan, A. C.,Dworkin, A. S.,Smith, G. P.. "Generation of Arenium Ions by a Self-Protonation Reaction in an Aprotic Molten Salt Medium". . p. 5262 - 5265. Retrieved 2007/10/02.