Tetrabenzo[a,cd,j,lm]perylene

Base Information

• Chemical Name: Tetrabenzo[a,cd,j,lm]perylene
• CAS No.: 191-53-7
• Molecular Formula: C34H18
• Molecular Weight: 426.51
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID40172619
• Nikkaji Number: J610.471A
• Wikidata: Q83042721
• Mol file: 191-53-7.mol

Synonyms:Tetrabenzo[a,cd,j,lm]perylene;191-53-7;DIBENZO[H,S]PEROPYRENE;Tetrabenzo(a,cd,j,lm)perylene;4,5:11,12-Dibenzperopyrene;4,5:11,12-Dibenzoperopyrene;nonacyclo[18.10.2.22,5.03,16.04,9.010,15.017,31.024,32.025,30]tetratriaconta-1(31),2,4,6,8,10,12,14,16,18,20(32),21,23,25,27,29,33-heptadecaene;DTXSID40172619;C34H18;C34-H18

Chemical Property of Tetrabenzo[a,cd,j,lm]perylene

Chemical Property:

• PSA: 0.00000
• Density: 1.408g/cm³
• LogP: 9.78780
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 426.140850574
• Heavy Atom Count: 34
• Complexity: 732

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=C4)C6=C7C(=C25)C=CC8=C7C(=CC=C8)C9=CC=CC=C96

Technology Process of Tetrabenzo[a,cd,j,lm]perylene

There total 7 articles about Tetrabenzo[a,cd,j,lm]perylene 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: 21.0%

7H-benz[d,e]anthracene-7-one (82-05-3) → 7H-benz[d,e]anthracene (199-94-0) + 4,5:11,12-dibenzoperopyren (191-53-7)

Guidance literature:

With lithium aluminium tetrahydride; titanium tetrachloride; In tetrahydrofuran; for 126h; Heating;

DOI:10.1021/ol9909435

Reference yield: 2.0%

3-bromobenzanthrone (81-96-9) → Dibenzonaphtho<8,1,2,cde>pentaphene (191-46-8) + iso-violanthrene-B (190-93-2) + 4,5:11,12-dibenzoperopyren (191-53-7)

Guidance literature:

With copper; sodium chloride; zinc(II) chloride; at 260 ℃; for 1h;

DOI:10.1021/jo00332a037

Reference yield:

7H-benz[d,e]anthracene-7-one (82-05-3) → Dibenzonaphtho<8,1,2,cde>pentaphene (191-46-8) + iso-violanthrene-B (190-93-2) + 4,5:11,12-dibenzoperopyren (191-53-7)

Guidance literature:

With sodium chloride; zinc(II) chloride; zinc; at 260 ℃; for 1h; Yield given. Yields of byproduct given;

upstream raw materials:

7H-benz[d,e]anthracene-7-one

7H-benz[d,e]anthracene

3-bromobenzanthrone

Downstream raw materials:

Dibenzoperylen

Refernces

• 1、 Pogodin, Sergey,Agranat, Israel. "Large PAHs by reductive peri-peri "dimerization" of phenalenones". . p. 1387 - 1390. Retrieved 1999.
• 2、 Aoki, Junji,Takekawa, Minoru,Fujisawa, Shoji,Iwashima, Satoshi. "Condensation Products of 3-Halogenobenzanthrone Obtained by Using Fused Zinc Chloride. A New Convenient Method for Synthesizing Violanthrene B". . p. 3922 - 3923. Retrieved 2007/10/02.