4-(4-Methoxyphenyl)-2-methylbutane-2-peroxol

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)-2-methylbutane-2-peroxol
• CAS No.: 85981-59-5
• Molecular Formula: C12H18O3
• Molecular Weight: 210.273
• DSSTox Substance ID: DTXSID60574858
• Wikidata: Q82464030

Synonyms:85981-59-5;4-(4-Methoxyphenyl)-2-methylbutane-2-peroxol;DTXSID60574858

Chemical Property of 4-(4-Methoxyphenyl)-2-methylbutane-2-peroxol

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 210.125594432
• Heavy Atom Count: 15
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(4-Methoxyphenyl)-2-methylbutane-2-peroxol

There total 2 articles about 4-(4-Methoxyphenyl)-2-methylbutane-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: 70.0%

3-hydroxy-1-(4-methoxyphenyl)-3-methylbutane (14305-29-4) → 3-(4-Methoxyphenyl)-1,1-dimethylpropylhydroperoxid (85981-59-5)

Guidance literature:

With phosphoric acid; dihydrogen peroxide; In benzene; at 40 ℃; for 3h;

Reference yield: 27.0%

2-bromo-4-(4-methoxyphenyl)-2-methylbutane → 1-methoxy-4-(3-methyl-but-2-enyl)benzene (4957-18-0) + 3-hydroxy-1-(4-methoxyphenyl)-3-methylbutane (14305-29-4) + 1-methoxy-4-(3-methylbutyl)benzene (622-67-3) + 1-methoxy-4-(3-methylbut-3-en-1-yl)benzene (18491-21-9) + 3-(4-Methoxyphenyl)-1,1-dimethylpropylhydroperoxid (85981-59-5)

Guidance literature:

With water; zinc; In acetonitrile; at 25 ℃; for 3.5h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.9b02026

Reference yield: 22.0%

3-(4-Methoxyphenyl)-1,1-dimethylpropylhydroperoxid (85981-59-5) → 5-(4-Methoxyphenyl)-3,3-dimethyl-1,2-dioxolan (85981-68-6)

Guidance literature:

With lead(IV) acetate; In pentane; for 12h;

upstream raw materials:

3-hydroxy-1-(4-methoxyphenyl)-3-methylbutane

Downstream raw materials:

5-(4-Methoxyphenyl)-3,3-dimethyl-1,2-dioxolan

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