2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE

Base Information

• Chemical Name: 2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE
• CAS No.: 13154-57-9
• Molecular Formula: C19H32 O3
• Molecular Weight: 308.461
• Hs Code.: 2914299000
• Mol file: 13154-57-9.mol

Synonyms:2,5-Cyclohexadien-1-one,2,6-di-tert-butyl-4-(tert-butyldioxy)-4-methyl- (8CI); Peroxide, tert-butyl3,5-di-tert-butyl-1-methyl-4-oxo-2,5-cyclohexadien-1-yl (6CI,7CI);2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone;2,6-di-tert-Butyl-4-(tert-butyldioxy)-4-methyl-2,5-cyclohexadienone

Chemical Property of 2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE

Chemical Property:

• Vapor Pressure: 1.88E-05mmHg at 25°C
• Boiling Point: 362.8°C at 760 mmHg
• Flash Point: 152.2°C
• PSA: 35.53000
• Density: 0.96g/cm³
• LogP: 5.01950

Purity/Quality:

99%min ^*data from raw suppliers

2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE

There total 16 articles about 2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE 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: 99.0%

tert.-butylhydroperoxide (75-91-2) + 2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → 2,6-di-tert-butyl-4-(tert-butylperoxy)-4-methylcyclohexa-2,5-dien-1-one (13154-57-9)

Guidance literature:

With dirhodium(II) tetrakis(caprolactam); In water; 1,2-dichloro-ethane; at 40 ℃; for 0.75h; chemoselective reaction;

DOI:10.1021/jo1024865

Reference yield: 85.0%

tert.-butylhydroperoxide (75-91-2) + 2,6-di-tert-butyl-4-methyl-phenol (128-37-0) + 1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one (142260-70-6) → 2,6-di-tert-butyl-4-(tert-butylperoxy)-4-methylcyclohexa-2,5-dien-1-one (13154-57-9)

Guidance literature:

In ethyl acetate; at 50 ℃; for 8.5h;

DOI:10.1016/S0040-4039(97)00781-8

Reference yield: 61.6%

2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → 2,6-Di-tert-butyl-1,4-benzoquinone (719-22-2) + 2,6-di-tert-butyl-4-(tert-butylperoxy)-4-methylcyclohexa-2,5-dien-1-one (13154-57-9)

Guidance literature:

With tert.-butylhydroperoxide; phosphomolybdic acid hydrate; In acetic acid; at 30 ℃; for 3h;

DOI:10.1246/bcsj.64.2583

upstream raw materials:

tert.-butylhydroperoxide

2,6-di-tert-butyl-4-methyl-phenol

2,6-di-tert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dienone

2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone

Refernces

• 1、 Pryor, William A.,Gu, Jen-tau,Church, Daniel F.. "Trapping Free Radicals Formed in the Reaction of Ozone with Simple Olefins Using 2,6-Di-tert-butyl-4-cresol (BHT)". . p. 185 - 189. Retrieved 1985.
• 2、 Swern et al.. "". . p. 412. Retrieved 1969.
• 3、 Gao, Xiaofang,Lin, Jiani,Zhang, Li,Lou, Xinyao,Guo, Guanghui,Peng, Na,Xu, Huan,Liu, Yi. "Iodine-Initiated Dioxygenation of Aryl Alkenes Using tert-Butylhydroperoxides and Water: A Route to Vicinal Diols and Bisperoxides". . p. 15469 - 15480. Retrieved 2021/11/16.
• 4、 Hazra, Susanta,Kushawaha, Ajay Kishor,Yadav, Deepak,Dolui, Pritam,Deb, Mayukh,Elias, Anil J.. "Table salt as a catalyst for the oxidation of aromatic alcohols and amines to acids and imines in aqueous medium: Effectively carrying out oxidation reactions in sea water". . p. 1929 - 1934. Retrieved 2019/04/29.