Bicyclo[4.2.0]octa-1,5-diene

Base Information

• Chemical Name: Bicyclo[4.2.0]octa-1,5-diene
• CAS No.: 42206-10-0
• Molecular Formula: C8H10
• Molecular Weight: 106.167
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID50195036
• Wikidata: Q83067914
• Mol file: 42206-10-0.mol

Synonyms:Bicyclo[4.2.0]octa-1,5-diene;42206-10-0;Bicyclo(4.2.0)octa-1,5-diene;DTXSID50195036;2,3-dimethylenecyclohexa-1,3-diene

Chemical Property of Bicyclo[4.2.0]octa-1,5-diene

Chemical Property:

• Vapor Pressure: 0.488mmHg at 25°C
• Boiling Point: 199.2°Cat760mmHg
• Flash Point: 46.1°C
• PSA: 0.00000
• Density: 0.96g/cm³
• LogP: 2.42680
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 106.078250319
• Heavy Atom Count: 8
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC=C2CCC2=C1

Technology Process of Bicyclo[4.2.0]octa-1,5-diene

There total 12 articles about Bicyclo[4.2.0]octa-1,5-diene 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: 3.0%

1,4-bis(triphenylphosphorylidene)butane (62486-05-9) + cyclobutane-1,2-dione (33689-28-0) → Bicyclo<4.2.0>octa-1,5-dien (42206-10-0)

Guidance literature:

In various solvent(s); at 25 ℃; for 0.5h;

DOI:10.1055/s-1980-28983

Reference yield:

1,2,6,7-Octatetraene (3642-10-2) → [4]dendralene (3642-21-5) + 1,2-Divinyl-1-cyclobuten (42206-11-1) + Bicyclo<4.2.0>octa-1,5-dien (42206-10-0)

Guidance literature:

at 130 ℃; for 5h; under 0.001 Torr;

Reference yield:

1,2-Divinyl-1-cyclobuten (42206-11-1) → [4]dendralene (3642-21-5) + Bicyclo<4.2.0>octa-1,5-dien (42206-10-0)

Guidance literature:

With pentane; In toluene; at 150 - 206 ℃; under 7 Torr; Kinetics; Thermodynamic data; ΔH^*, ΔS^* at 180 deg C;

upstream raw materials:

1,4-bis(triphenylphosphorylidene)butane

cyclobutane-1,2-dione

[4]dendralene

1,2,6,7-Octatetraene

Downstream raw materials:

C₁₆H₁₅N₃O₂

[4]dendralene

1,2-Divinyl-1-cyclobuten

3,4-Dimethylen-1-cyclohexen

Refernces

• 1、 Roth, Wolfgang R.,Scholz, Bernhard P.. "The Energy-Well of Diradicals, II. The 2,3-Dimethylene-1,4-cyclohexadiyl". . p. 1197 - 1208. Retrieved 2007/10/02.
• 2、 Roth, Wolfgang R.,Biermann, Manfred,Erker, Gerhard,Jelich, Klaus,Gerhartz, Wolfgang,Goerner, Helmut. "Isolation and Energy Well of the 2,3-Dimethylene-1,4-cyclohexadiyl Diradical". . p. 586 - 597. Retrieved 2007/10/02.