Cyclohexa-1,3-diene dioxide

Base Information

• Chemical Name: Cyclohexa-1,3-diene dioxide
• CAS No.: 277-06-5
• Molecular Formula: C₆H₈O₂
• Molecular Weight: 112.128
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20950371
• Nikkaji Number: J2.979C
• Mol file: 277-06-5.mol

Synonyms:1,2:3,4-Diepoxycyclohexane;Cyclohexa-1,3-diene dioxide;277-06-5;cyclohexadiene dioxide;UNII-AOF31T5W1C;AOF31T5W1C;SCHEMBL4564219;DTXSID20950371;LS-62468;3,8-Dioxatricyclo[5.1.0.0~2,4~]octane

Chemical Property of Cyclohexa-1,3-diene dioxide

Chemical Property:

• Vapor Pressure: 0.319mmHg at 25°C
• Refractive Index: 1.4792 (estimate)
• Boiling Point: 207.7°Cat760mmHg
• Flash Point: 75.2°C
• PSA: 25.06000
• Density: 1.302g/cm³
• LogP: 0.31500
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(O2)C3C1O3

Technology Process of Cyclohexa-1,3-diene dioxide

There total 5 articles about Cyclohexa-1,3-diene dioxide 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:

3,4-epoxycyclohexene (6705-51-7) → cyclohexa-1,3-diene diepoxide (277-06-5)

Guidance literature:

With C₂₀H₂₆FeN₄⁽²⁺⁾*2CF₃O₃S^(1-); dihydrogen peroxide; acetic acid; In acetonitrile; at 0 ℃; for 0.166667h;

DOI:10.1002/ejic.201500213

Reference yield:

cyclohexa-1,3-diene (1165952-91-9) → cyclohexa-1,3-diene diepoxide (277-06-5)

Guidance literature:

With potassium hydroxide; water; Paraquat; tetraphenylporphyrinantimony; In acetonitrile; for 1h; Irradiation; 1.92 V oxidation potential vs. normal hydrogen electrode;

DOI:10.1039/c39870001681

Reference yield:

→ cyclohexa-1,3-diene diepoxide (277-06-5)

Guidance literature:

With Perbenzoic acid; chloroform;

upstream raw materials:

cyclohexa-1,3-diene

3,4-epoxycyclohexene

Downstream raw materials:

(1R(S),2R(S),3S(R),4S(R))-2,3-dihydroxycyclo-hexane-1,4-diyl dinitrate

(+/-)-1r.2t.3c.4t-tetrabenzoyloxy-cyclohexane

1r.2t.3t.4c-tetrabenzoyloxy-cyclohexane

cyclohexanetetrol-(1r,2t,3t,4c)

Refernces

• 1、 Inoue, Haruo,Sumitani, Makoto,Sekita, Akie,Hida, Mitsuhiko. "Photochemical Epoxidation of Alkenes by Visible Liht in a Redox System involving Tetraphenylporphyrinantimony(V) and Water". . p. 1681 - 1682. Retrieved 2007/10/02.