Cyclohexyl hydroperoxide

Base Information

• Chemical Name: Cyclohexyl hydroperoxide
• CAS No.: 766-07-4
• Molecular Formula: C6H12 O2
• Molecular Weight: 116.16
• European Community (EC) Number: 212-159-5
• UNII: ZR4UH5MC4C
• DSSTox Substance ID: DTXSID90227401
• Nikkaji Number: J193.137G
• Wikidata: Q11307091
• Mol file: 766-07-4.mol

Synonyms:Cyclohexyl hydroperoxide;766-07-4;Cyclohexane hydroperoxide;Hydroperoxide, cyclohexyl;ZR4UH5MC4C;EINECS 212-159-5;hydroperoxycyclohexane;hydroperoxy-cyclohexane;UNII-ZR4UH5MC4C;SCHEMBL221594;SCHEMBL1758112;SCHEMBL9067135;DTXSID90227401;AKOS015907057;Q11307091

Chemical Property of Cyclohexyl hydroperoxide

Chemical Property:

• Vapor Pressure: 0.0826mmHg at 25°C
• Melting Point: -20°C
• Refractive Index: 1.4638 (estimate)
• Boiling Point: 200°C at 760 mmHg
• Flash Point: 74.8°C
• PSA: 29.46000
• Density: 1.02g/cm³
• LogP: 1.80870
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 57.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OO

Technology Process of Cyclohexyl hydroperoxide

There total 47 articles about Cyclohexyl hydroperoxide 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: 48.2%

cyclohexane (110-82-7,25012-93-5) → cyclohexyl hydroperoxide (766-07-4) + cyclohexyl formate (4351-54-6) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + cyclohexanol (108-93-0)

Guidance literature:

With C₁₂H₆N₂O₄^(2-)*Al⁽³⁺⁾*HO^(1-)*0.5H₂O; oxygen; at 0 - 160 ℃; for 4h; under 7500.75 Torr; Reagent/catalyst; Temperature; Autoclave;

DOI:10.1039/c2cc36733e

Reference yield: 45.0%

cyclohexane (110-82-7,25012-93-5) → cyclohexyl hydroperoxide (766-07-4)

Guidance literature:

With air; at 240 ℃; under 7500.6 Torr; Product distribution; different temp.,different pressure;

Reference yield: 23.0%

Cyclohexyl iodide (626-62-0) → cyclohexyl hydroperoxide (766-07-4)

Guidance literature:

With dihydrogen peroxide; silver trifluoroacetate; In dichloromethane; at 0 ℃;

DOI:10.1021/ja9814873

upstream raw materials:

cyclohexane

tricyclohexylborane

(+/-)-α-tocopherol

(dichloro)(cyclohexyl)borane

Downstream raw materials:

cyclohexyl-trityl peroxide

Cyclohexylperoxyacetat

terpineol

cyclohexanone

Refernces

• 1、 Buvaylo, Elena A.,Kokozay, Vladimir N.,Vassilyeva, Olga Yu.,Skelton, Brian W.,Nesterova, Oksana V.,Pombeiro, Armando J.L.. "Copper(II) complex of the 2-pyridinecarbaldehyde aminoguanidine Schiff base: Crystal structure and catalytic behaviour in mild oxidation of alkanes". . p. 85 - 90. Retrieved 2017.
• 2、 Pires, Bianca M.,Silva, Daniel M.,Visentin, Lorenzo C.,Drago, Valderes,Carvalho, Nakédia M.F.,Faria, Roberto B.,Antunes. "Synthesis, characterization and catalase-like activity of the tetranuclear iron(III) complex involving a (μ-oxo)(μ-hydroxo)bis(μ-alkoxo) tetra(μ-carboxylato)tetrairon core". . p. 69 - 81. Retrieved 2013.
• 3、 Shen, Hai-Min,Wang, Xiong,Ning, Lei,Guo, A-Bing,Deng, Jin-Hui,She, Yuan-Bin. "Efficient oxidation of cycloalkanes with simultaneously increased conversion and selectivity using O2 catalyzed by metalloporphyrins and boosted by Zn(AcO)2: A practical strategy to inhibit the formation of aliphatic diacids". . . Retrieved 2020/11/20.
• 4、 -. "Method for catalytic oxidation of cycloalkane by confinement porphyrin Co (II)". Page/Page column 8-10. . Retrieved 2020/05/01.