2-(1-Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-1,3-dioxolane

Base Information

• Chemical Name: 2-(1-Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-1,3-dioxolane
• CAS No.: 1469-55-2
• Molecular Formula: C₂₃H₁₈O₂
• Molecular Weight: 326.395
• NSC Number: 122908
• DSSTox Substance ID: DTXSID90298398
• Wikidata: Q82040191

Synonyms:1469-55-2;NSC122908;DTXSID90298398;NSC-122908;2-(Pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-yl)-1,3-dioxolane (non-preferred name)

Chemical Property of 2-(1-Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 8.34E-08mmHg at 25°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 326.130679813
• Heavy Atom Count: 25
• Complexity: 450

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COC(O1)C23C4=CC=CC=C4C(C5=CC=CC=C52)C6=CC=CC=C36

Technology Process of 2-(1-Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-1,3-dioxolane

There total 3 articles about 2-(1-Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-1,3-dioxolane 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: 64.0%

benzyne (462-80-6,53356-60-8,193469-78-2) + 2-(anthracen-9-yl)-1,3-dioxolane (4764-28-7) → 2-(triptycene-9-yl)-1,3-dioxolane (1469-55-2)

Guidance literature:

DOI:10.1021/jo9723218

Reference yield: 54.0%

2-(anthracen-9-yl)-1,3-dioxolane (4764-28-7) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-(triptycene-9-yl)-1,3-dioxolane (1469-55-2)

Guidance literature:

With isopentyl nitrite; In dichloromethane; acetone; for 22h; Reflux; Inert atmosphere;

DOI:10.1021/ja2063346

Reference yield:

→ 2-(triptycene-9-yl)-1,3-dioxolane (1469-55-2)

Guidance literature:

DOI:10.1021/jm00327a013

upstream raw materials:

benzyne

2-(anthracen-9-yl)-1,3-dioxolane

anthranilic acid

Downstream raw materials:

9,10-[1,2]benzenoanthracen-9(10H)-ylmethanol

9,10-[1,2]benzenoanthracene-9(10H)-carboxylic acid

triptycene-9-carboxaldehyde

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