Tetracyclo[4.2.0.0~2,5~.0~3,8~]octane

Base Information

• Chemical Name: Tetracyclo[4.2.0.0~2,5~.0~3,8~]octane
• CAS No.: 3104-90-3
• Molecular Formula: C8H10
• Molecular Weight: 106.165
• DSSTox Substance ID: DTXSID70544401
• Nikkaji Number: J558.469H
• Mol file: 3104-90-3.mol

Synonyms:secocubane;Tetracyclo[4.2.0.0~2,5~.0~3,8~]octane;3104-90-3;DTXSID70544401

Chemical Property of Tetracyclo[4.2.0.0~2,5~.0~3,8~]octane

Chemical Property:

• Vapor Pressure: 9.68mmHg at 25°C
• Boiling Point: 135.1°C at 760 mmHg
• Flash Point: 9.8°C
• Density: 1.249g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 106.078250319
• Heavy Atom Count: 8
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C3CC4C1C2C34

Technology Process of Tetracyclo[4.2.0.0~2,5~.0~3,8~]octane

There total 5 articles about Tetracyclo[4.2.0.0~2,5~.0~3,8~]octane 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: 43.0%

exo-4-chlorosecocubane (62476-39-5,105930-19-6) → secocubane (3104-90-3)

Guidance literature:

With sodium; In ethanol; for 1h; Heating;

DOI:10.1016/S0040-4020(01)87593-1

Reference yield:

cubane (277-10-1) → bicyclo<2.2.2>octane (280-33-1) + secocubane (3104-90-3) + nortwistbrendane (3104-91-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; Product distribution;

DOI:10.1016/S0040-4020(01)87593-1

Reference yield:

cubane (277-10-1) → secocubane (3104-90-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(01)87593-1

upstream raw materials:

exo-4-chlorosecocubane

cubane

secocubane acids

Downstream raw materials:

bicyclo<2.2.2>octane

bicyclo<3.2.1>octane

Refernces