Pagodane

Base Information

• Chemical Name: Pagodane
• CAS No.: 89683-62-5
• Molecular Formula: C20H20
• Molecular Weight: 260.379
• DSSTox Substance ID: DTXSID101029278
• Nikkaji Number: J1.454.565D
• Wikipedia: Pagodane
• Wikidata: Q3888977
• Mol file: 89683-62-5.mol

Synonyms:Pagodane;89683-62-5;2,7,8b,3,4b,6-Ethanediylidene dipentaleno(1,6-ab:1',6'-ef)pentalene, hexadecahydro-;DTXSID101029278;Q3888977

Chemical Property of Pagodane

Chemical Property:

• Density: 1.62g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 260.156500638
• Heavy Atom Count: 20
• Complexity: 592

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C3C4CC5C3C1C67C28C49C56C1CC9C2C8CC7C12

Technology Process of Pagodane

There total 4 articles about Pagodane 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: 15.0%

nonacyclo<12.6.0.02,6.04,11.05.9.07,20.010,17.012,16.015,19>icosa-1(20),10-diene (107798-67-4) → nonacyclo<12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19>icos-1(20)-ene (107798-68-5) + Decacyclo[9.9.0.01,8.02,15.03,7.05,12.06,10.011,18.013,17.016,20]eicosan (107798-72-1) + undecacyclo<9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20>icosane (89683-62-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; for 24h; under 152000 Torr; Ambient temperature;

Reference yield:

nonacyclo<12.6.0.02,6.04,11.05.9.07,20.010,17.012,16.015,19>icosa-1(20),10-diene (107798-67-4) → undecacyclo<9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20>icosane (89683-62-5)

Guidance literature:

In diethyl ether; Yield given; Ambient temperature; Irradiation;

Reference yield:

undecacyclo<9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20>icosane (89683-62-5) → <1.1.1.1>pagodane dication (89683-62-5)

Guidance literature:

With fluorosulfonylchloride; antimony pentafluoride; at -78 ℃; for 3h;

DOI:10.1021/ja00231a029

upstream raw materials:

C₂₀H₁₈I₂

nonacyclo<12.6.0.0^2,6.0^4,11.0^5.9.0^7,20.0^10,17.0^12,16.0^15,19>icosa-1(20),10-diene

Downstream raw materials:

2,12-dimethoxydecacyclo<9.9.0.0^1,8.0^2,15.0^3,7.0^5,12.0^6,10.0^11,18.0^13,17.0^16,20>eicosane

naphthalene

dodecahedrane

Decacyclo[9.9.0.0^1,8.0^2,15.0^3,7.0^5,12.0^6,10.0^11,18.0^13,17.0^16,20]eicosan

Refernces

• 1、 Prakash, G. K. Surya,Krishnamurthy, V. V.,Herges, Rainer,Bau, Robert,Yuan, Hanna,et al.. "- and Pagodane Dications: Frozen Two-Electron Woodward-Hoffmann Transition-State Models". . p. 7764 - 7772. Retrieved 1988.