anti-Benzene dioxide

Base Information

• Chemical Name: anti-Benzene dioxide
• CAS No.: 51153-58-3
• Molecular Formula: C₆H₆O₂
• Molecular Weight: 110.112
• DSSTox Substance ID: DTXSID10199176
• Nikkaji Number: J2.899.927E
• Wikidata: Q83072085

Synonyms:anti-Benzene dioxide;3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-;51153-58-3;DTXSID10199176;LS-62471;3beta,4beta:5alpha,6alpha-Diepoxy-1-cyclohexene

Chemical Property of anti-Benzene dioxide

Chemical Property:

• Vapor Pressure: 1.3mmHg at 25°C
• Boiling Point: 179°Cat760mmHg
• Flash Point: 55.3°C
• Density: 1.387g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.036779430
• Heavy Atom Count: 8
• Complexity: 146

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2C(O2)C3C1O3
• Isomeric SMILES: C1=C[C@@H]2[C@@H](O2)[C@H]3[C@@H]1O3

Technology Process of anti-Benzene dioxide

There total 4 articles about anti-Benzene 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: 96.8%

(1RS,2SR,3RS,4RS)-2,3-dibromocyclohex-5-ene-1,4-diol (69945-44-4,80563-10-6) → rac-(3R,4R,5R,6R)-3,4:5,6-diepoxycyclohex-1-ene (39078-08-5,51153-58-3,80582-74-7,80582-75-8,120575-12-4,174690-27-8)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

DOI:10.1016/j.tetasy.2010.04.022

Reference yield: 77.0%

(+/-)-(1S,2R,3R,4S)-1,4-diacetoxy-2,3-dibromocyclohex-5-ene (112212-81-4,145047-66-1) → rac-(3R,4R,5R,6R)-3,4:5,6-diepoxycyclohex-1-ene (39078-08-5,51153-58-3,80582-74-7,80582-75-8,120575-12-4,174690-27-8)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2012.10.038

Reference yield:

(5RS,6RS)-5,6-dibromocyclohex-2-ene-1,4-dione (5273-61-0,14624-09-0,112212-80-3) → rac-(3R,4R,5R,6R)-3,4:5,6-diepoxycyclohex-1-ene (39078-08-5,51153-58-3,80582-74-7,80582-75-8,120575-12-4,174690-27-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / NaBH₄ / diethyl ether; H₂O / 2.5 h / 2 °C

2: 61 percent / KOH, molecular sieves (4 Angstroem) / tetrahydrofuran / 8 h

With potassium hydroxide; sodium tetrahydroborate; 4 A molecular sieve; In tetrahydrofuran; diethyl ether; water;

DOI:10.1016/S0040-4020(01)90392-8

upstream raw materials:

(1RS,2SR,3RS,4RS)-2,3-dibromocyclohex-5-ene-1,4-diol

(5RS,6RS)-5,6-dibromocyclohex-2-ene-1,4-dione

p-benzoquinone

(+/-)-(1S,2R,3R,4S)-1,4-diacetoxy-2,3-dibromocyclohex-5-ene

Downstream raw materials:

(1RS,2RS,3RS,6RS)-3,6-diethoxycyclohex-4-ene-1,2-diol

(1R,2R,3R,6R)-3,6-Di-tert-butyl-cyclohex-4-ene-1,2-diol

(1RS,2RS,3RS,6RS)-3,6-di(phenylthio)cyclohex-4-ene-1,2-diol

(1S,2S,4S,7S)-3,8-Bis-(toluene-4-sulfonyl)-3,8-diaza-tricyclo[5.1.0.0^2,4]oct-5-ene

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