1-Phenylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene(non-preferred name)

Base Information

• Chemical Name: 1-Phenylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene(non-preferred name)
• CAS No.: 20466-07-3
• Molecular Formula: C₂₆H₁₈
• Molecular Weight: 330.429
• NSC Number: 122712
• DSSTox Substance ID: DTXSID30298372
• Nikkaji Number: J2.880.335D
• Wikidata: Q82040146
• Mol file: 20466-07-3.mol

Synonyms:20466-07-3;9-phenyltriptycene;1-phenylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene(non-preferred name);NSC122712;DTXSID30298372;AKOS004907067;NSC-122712

Chemical Property of 1-Phenylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene(non-preferred name)

Chemical Property:

• Vapor Pressure: 2.8E-07mmHg at 25°C
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 330.140850574
• Heavy Atom Count: 26
• Complexity: 454

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C23C4=CC=CC=C4C(C5=CC=CC=C52)C6=CC=CC=C36

Technology Process of 1-Phenylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene(non-preferred name)

There total 3 articles about 1-Phenylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene(non-preferred name) 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: 53.0%

iodobenzene (591-50-4) + C20H13Cu → 9-phenyltriptycene (20466-07-3)

Guidance literature:

With tris(o-methoxyphenyl)phosphine; palladium diacetate; In tetrahydrofuran; toluene;

DOI:10.1039/c9sc00891h

Reference yield:

9-phenylanthracene (602-55-1) + 2-carboxybenzene diazonium chloride (4661-46-5) → 9-phenyltriptycene (20466-07-3)

Guidance literature:

With methyloxirane;

DOI:10.1021/jo01263a046

Reference yield:

→ 9-phenyltriptycene (20466-07-3)

Guidance literature:

Dehydrobenzol, 9-Phenyl-anthracen; im Gemisch mit den Anthracen-dehydrobenzol-addukten;

DOI:10.1021/ja01030a058

upstream raw materials:

9-phenylanthracene

2-carboxybenzene diazonium chloride

iodobenzene

Downstream raw materials:

(η⁶-(9-Phenyl)-1,2,3,4,4a,9a-triptycene)tricarbonylchromium