1-Methoxy-1-[(2-methylbutan-2-yl)peroxy]cyclohexane

Base Information

• Chemical Name: 1-Methoxy-1-[(2-methylbutan-2-yl)peroxy]cyclohexane
• CAS No.: 125768-93-6
• Molecular Formula: C12H24O3
• Molecular Weight: 216.321
• European Community (EC) Number: 700-446-2
• DSSTox Substance ID: DTXSID60561824
• Nikkaji Number: J686.389B
• Wikidata: Q82445705
• Mol file: 125768-93-6.mol

Synonyms:125768-93-6;SCHEMBL928141;1-Methoxy-1-[(2-methylbutan-2-yl)peroxy]cyclohexane;DTXSID60561824;1-methoxy-1-(1,1-dimethylpropylperoxy)cyclohexane

Chemical Property of 1-Methoxy-1-[(2-methylbutan-2-yl)peroxy]cyclohexane

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 216.17254462
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)OOC1(CCCCC1)OC

Technology Process of 1-Methoxy-1-[(2-methylbutan-2-yl)peroxy]cyclohexane

There total 2 articles about 1-Methoxy-1-[(2-methylbutan-2-yl)peroxy]cyclohexane 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: 67.1%

cycloxexanone dimethyl ketal (933-40-4) + tert-amyl hydroperoxide (3425-61-4) → 1-methoxy-1-t-amylperoxycyclohexane (125768-93-6)

Guidance literature:

With toluene-4-sulfonic acid; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1021/jo00122a035

Reference yield:

methanol (67-56-1) + tert-amyl hydroperoxide (3425-61-4) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1,1-Bis(tert-pentylperoxy)cyclohexane (15667-10-4) + 1-methoxy-1-t-amylperoxycyclohexane (125768-93-6)

Guidance literature:

With sulfuric acid; at -6 - -4 ℃; for 0.25h;

Reference yield:

1-methoxy-1-t-amylperoxycyclohexane (125768-93-6) → tert-Amyl alcohol (75-85-4) + methyl hexanoate (106-70-7) + acetone (67-64-1) + 6-(1,1-Dimethyl-propoxy)-hexanoic acid methyl ester

Guidance literature:

With Isopropylbenzene; at 110 ℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.); other temp.;

DOI:10.1021/jo00122a035

upstream raw materials:

cycloxexanone dimethyl ketal

tert-amyl hydroperoxide

methanol

cyclohexanone

Downstream raw materials:

tert-Amyl alcohol

methyl hexanoate

acetone