9-(1-Phenylethenyl)phenanthrene

Base Information

• Chemical Name: 9-(1-Phenylethenyl)phenanthrene
• CAS No.: 60300-73-4
• Molecular Formula: C22H16
• Molecular Weight: 280.36200
• DSSTox Substance ID: DTXSID50365050
• Nikkaji Number: J1.290.477K,J1.491.843D
• Wikidata: Q82149411
• Mol file: 60300-73-4.mol

Synonyms:9-(1-phenylethenyl)phenanthrene;60300-73-4;9-(1-phenylvinyl)phenanthrene;Phenanthrene, 9-(1-phenylethenyl)-;DTXSID50365050;1-(9-Phenanthryl)-1-phenylethylene;AB-131/42301399

Chemical Property of 9-(1-Phenylethenyl)phenanthrene

Chemical Property:

• PSA: 0.00000
• LogP: 6.05450
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 280.125200510
• Heavy Atom Count: 22
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C1=CC=CC=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42

Technology Process of 9-(1-Phenylethenyl)phenanthrene

There total 3 articles about 9-(1-Phenylethenyl)phenanthrene 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: 61.0%

3-(phenanthren-9-yl)acrylic acid + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-(9-phenanthryl)-1-phenylethylene (60300-73-4)

Guidance literature:

With 1,10-Phenanthroline; palladium diacetate; copper(II) acetate monohydrate; trifluoroacetic acid; at 140 ℃; for 24h; regioselective reaction; Further stages; Sealed tube; Molecular sieve;

DOI:10.1039/c6cc07032a

Reference yield:

9-phenanthrylmagnesium bromide (71112-64-6) + acetophenone (98-86-2) → 1-(9-phenanthryl)-1-phenylethylene (60300-73-4)

Guidance literature:

DOI:10.1021/ja01287a011

Reference yield:

9-acetylphenanthrene (2039-77-2) + phenylmagnesium bromide → 1-(9-phenanthryl)-1-phenylethylene (60300-73-4)

Guidance literature:

In tetrahydrofuran; for 1h; Heating;

DOI:10.1021/jo01258a088

upstream raw materials:

9-phenanthrylmagnesium bromide

acetophenone

9-acetylphenanthrene

benzene

Downstream raw materials:

9-(α-Methyl-benzyl)-phenanthren

5-Phenyl-acephenanthrylene

Refernces