Bicyclo(4.2.0)octa-1(6),3-diene-2,5-dione

Base Information

• Chemical Name: Bicyclo(4.2.0)octa-1(6),3-diene-2,5-dione
• CAS No.: 77627-49-7
• Molecular Formula: C8H6O2
• Molecular Weight: 134.132
• DSSTox Substance ID: DTXSID60228288
• Nikkaji Number: J591.417E
• Wikidata: Q83108249

Synonyms:Bicyclo(4.2.0)octa-1(6),3-diene-2,5-dione;Bicyclo[4.2.0]octa-1(6),3-diene-2,5-dione;77627-49-7;SCHEMBL973342;DTXSID60228288

Chemical Property of Bicyclo(4.2.0)octa-1(6),3-diene-2,5-dione

Chemical Property:

• Vapor Pressure: 0.0296mmHg at 25°C
• Melting Point: 71-72 °C
• Boiling Point: 244.9°C at 760 mmHg
• Flash Point: 89.8°C
• PSA: 34.14000
• Density: 1.28g/cm³
• LogP: 0.78480
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.036779430
• Heavy Atom Count: 10
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C1C(=O)C=CC2=O

Technology Process of Bicyclo(4.2.0)octa-1(6),3-diene-2,5-dione

There total 4 articles about Bicyclo(4.2.0)octa-1(6),3-diene-2,5-dione 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: 84.0%

3,6-dihydroxy-1,2-dihydrobenzocyclobutene (77627-60-2) → 1,2,3,6-tetrahydrobenzocyclobutene-3,6-dione (77627-49-7)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile;

DOI:10.1246/cl.1981.37

Reference yield: 35.0%

bicyclo<4.2.0>octane-2,5-dione (68882-69-9) → 1,2,3,6-tetrahydrobenzocyclobutene-3,6-dione (77627-49-7)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; for 1h; Heating;

DOI:10.1246/cl.1981.37

Reference yield: 3.0%

bicyclo<4.2.0>octane-2,5-dione (68882-69-9) → 1,2,3,6-tetrahydrobenzocyclobutene-3,6-dione (77627-49-7) + bicyclo<4.2.0>oct-3-ene-2,5-dione (77627-56-6) + 3,6-dihydroxy-1,2-dihydrobenzocyclobutene (77627-60-2)

Guidance literature:

With selenium(IV) oxide; In ethyl acetate; for 3h; Heating;

DOI:10.1246/cl.1981.37

upstream raw materials:

bicyclo<4.2.0>octane-2,5-dione

3,6-dihydroxy-1,2-dihydrobenzocyclobutene

bicyclo<4.2.0>oct-3-ene-2,5-dione

Downstream raw materials:

C₃₇H₂₆O₃

C₂₇H₂₂O₃

C₂₇H₂₂O₃

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