Pentaphene

Base Information

• Chemical Name: Pentaphene
• CAS No.: 222-93-5
• Molecular Formula: C22H14
• Molecular Weight: 278.353
• Hs Code.: 2902909090
• European Community (EC) Number: 205-927-6
• UNII: IF94R180Q0
• DSSTox Substance ID: DTXSID90176743
• Nikkaji Number: J221.827E
• Wikidata: Q2069346
• Metabolomics Workbench ID: 54832
• Mol file: 222-93-5.mol

Synonyms:PENTAPHENE;222-93-5;2,3:6,7-Dibenzphenanthrene;Pentapheno;UNII-IF94R180Q0;IF94R180Q0;EINECS 205-927-6;dibenzo[b,h]phenanthrene;DIBENZO(B,H)PHENANTHRENE;CHEBI:33147;DTXSID90176743;2,3:6,7-DIBENZOPHENANTHRENE;4-HYDROXYBIPHENYL-4-CARBOXIMIDAMIDE;2,3:6,7-DIBENZPHENANTHRENE [MI];Q2069346

Chemical Property of Pentaphene

Chemical Property:

• Vapor Pressure: 1.41E-10mmHg at 25°C
• Melting Point: 257°C
• Refractive Index: 1.8120 (estimate)
• Boiling Point: 524.7°C at 760 mmHg
• Flash Point: 264.5°C
• PSA: 0.00000
• Density: 1.232g/cm³
• LogP: 6.29940
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 278.109550447
• Heavy Atom Count: 22
• Complexity: 361

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=C3C(=CC2=C1)C=CC4=CC5=CC=CC=C5C=C43

Technology Process of Pentaphene

There total 28 articles about 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: 83.0%

2,2'-(1,4-phenylenebis(methylene))dibenzaldehyde → pentaphene (222-93-5)

Guidance literature:

With trifluorormethanesulfonic acid; In chloroform; at 20 ℃; for 5h; Sealed tube;

DOI:10.1021/acs.orglett.8b03359

Reference yield: 82.0%

2,2'-(1,3-phenylenebis(methylene))dibenzaldehyde → pentaphene (222-93-5)

Guidance literature:

With trifluorormethanesulfonic acid; In chloroform; at 20 ℃; for 5h; Sealed tube;

DOI:10.1021/acs.orglett.8b03359

Reference yield: 75.0%

5,14-bis(trimethylsilyl)-5,14-dihydro-5,14-epoxypentaphene (101493-04-3) → pentaphene (222-93-5)

Guidance literature:

With acetic acid; zinc; 1.) reflux, 4 h, 2.) RT, overnight;

DOI:10.1021/jo00360a054

upstream raw materials:

pentaphene-5,8,13,14-tetraone

2,2'-o-xylylene-di-benzoic acid

5-oxo-5,14-dihydro-pentaphene-carboxylic acid-⁽³⁾

6,7-dihydropentaphene

Downstream raw materials:

2,2'-binaphthalene-3,3'-dicarboxylic acid