Phenanthrene, 9,10-bis(phenylethynyl)-

Base Information

• Chemical Name: Phenanthrene, 9,10-bis(phenylethynyl)-
• CAS No.: 80034-41-9
• Molecular Formula: C30H18
• Molecular Weight: 378.473
• DSSTox Substance ID: DTXSID70439101
• Nikkaji Number: J683.932K
• Mol file: 80034-41-9.mol

Synonyms:Phenanthrene, 9,10-bis(phenylethynyl)-;80034-41-9;DTXSID70439101;9,10-di(phenylethynyl)phenanthrene;9,10-Bis(phenylethynyl)phenanthrene

Chemical Property of Phenanthrene, 9,10-bis(phenylethynyl)-

Chemical Property:

• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 378.140850574
• Heavy Atom Count: 30
• Complexity: 629

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=C(C3=CC=CC=C3C4=CC=CC=C42)C#CC5=CC=CC=C5

Technology Process of Phenanthrene, 9,10-bis(phenylethynyl)-

There total 2 articles about Phenanthrene, 9,10-bis(phenylethynyl)- 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:

9,10-bis(phenylethynyl)phenanthrene-9,10-diol (116153-39-0) → 9,10-bis(phenylethynyl)phenanthrene (80034-41-9)

Guidance literature:

With methanol; acetic acid; tin(ll) chloride;

Reference yield:

9,10-phenanthrenequinone (84-11-7) → 9,10-bis(phenylethynyl)phenanthrene (80034-41-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) EtMgBr / 1.) THF, reflux, 30 min, 2.) THF, reflux, 12 h

2: SnCl₂, 50percent aq. AcOH / 4 h / 100 °C

With ethylmagnesium bromide; acetic acid; tin(ll) chloride;

DOI:10.1016/0040-4020(96)00394-8

Reference yield: 85.0%

9,10-bis(phenylethynyl)phenanthrene (80034-41-9) → 9-Phenylbenzo<4,5>pentaleno<10,9-l>phenanthrene

Guidance literature:

With platinum(IV) chloride; Aliquat 336; In water; 1,2-dichloro-ethane; for 12h; Heating;

DOI:10.1016/0040-4020(96)00394-8

upstream raw materials:

9,10-bis(phenylethynyl)phenanthrene-9,10-diol

9,10-phenanthrenequinone

Refernces

• 1、 Hanhela, Peter J.,Paul, D. Brenton. "Synthesis and Evaluation of Fluorescent Materials for Colour Control of Peroxyoxalate Chemiluminescence. II. Violet and Blue Emitters". . p. 1687 - 1700. Retrieved 2007/10/02.