2-Methyl-4-phenylbutane-2-peroxol

Base Information

• Chemical Name: 2-Methyl-4-phenylbutane-2-peroxol
• CAS No.: 34586-02-2
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• DSSTox Substance ID: DTXSID20505461
• Wikidata: Q82360608

Synonyms:34586-02-2;2-Methyl-4-phenylbutane-2-peroxol;DTXSID20505461

Chemical Property of 2-Methyl-4-phenylbutane-2-peroxol

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC1=CC=CC=C1)OO

Technology Process of 2-Methyl-4-phenylbutane-2-peroxol

There total 2 articles about 2-Methyl-4-phenylbutane-2-peroxol 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: 73.0%

4-phenyl-2-methyl-2-butanol (103-05-9) → 1,2-Dimethyl-3-phenylpropylhydroperoxid (34586-02-2)

Guidance literature:

With phosphoric acid; dihydrogen peroxide; at 50 ℃; for 6h;

DOI:10.1055/s-1981-29403

Reference yield:

phenethylmagnesium bromide (3277-89-2) → 1,2-Dimethyl-3-phenylpropylhydroperoxid (34586-02-2)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. H₂O₂, H₂SO₄

With sulfuric acid; dihydrogen peroxide;

DOI:10.1021/ja00983a023

Reference yield: 23.0%

1,2-Dimethyl-3-phenylpropylhydroperoxid (34586-02-2) → 3-hydroxy-3-methyl-1-phenyl-1-butanone (43108-74-3) + 4-phenyl-2-methyl-2-butanol (103-05-9) + 3,3-Dimethyl-5-phenyl-1,2-dioxolan (85981-76-6) + (1,1-Dimethyl-3-phenylpropyl)(2-phenylethyl)peroxid (85981-62-0)

Guidance literature:

With lead(IV) acetate; In Petroleum ether; at 40 ℃; for 15h; Further byproducts given;

upstream raw materials:

4-phenyl-2-methyl-2-butanol

phenethylmagnesium bromide

Downstream raw materials:

2-(1,1-Dimethyl-3-phenyl-propylperoxy)-ethanesulfonic acid phenyl ester

3-hydroxy-3-methyl-1-phenyl-1-butanone

4-phenyl-2-methyl-2-butanol

3,3-Dimethyl-5-phenyl-1,2-dioxolan

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