2,5-Dihydroperoxy-2,5-dimethylhex-3-yne

Base Information

• Chemical Name: 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne
• CAS No.: 3491-36-9
• Molecular Formula: C8H14O4
• Molecular Weight: 174.197
• European Community (EC) Number: 609-045-6
• DSSTox Substance ID: DTXSID90871029
• Nikkaji Number: J112.274F
• Wikidata: Q69758859
• Mol file: 3491-36-9.mol

Synonyms:2,5-Dihydroperoxy-2,5-dimethylhex-3-yne;3491-36-9;2,5-dimethyl-2,5-dihydroperoxy-3-hexyne;SCHEMBL374940;DTXSID90871029;2,5-dimethyl-2,5-dihydroperoxyhex-3-yne;(2,5-Dimethyl-3-hexyne-2,5-diyl)dihydroperoxide;Hydroperoxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis-

Chemical Property of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne

Chemical Property:

• Vapor Pressure: 1.66E-05mmHg at 25°C
• Refractive Index: 1.4220 (estimate)
• Boiling Point: 326.3°C at 760 mmHg
• Flash Point: 151.2°C
• PSA: 58.92000
• Density: 1.148g/cm³
• LogP: 1.52620
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#CC(C)(C)OO)OO

Technology Process of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne

There total 2 articles about 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne 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:

2,5-dihydroxy-2,5-dimethyl-3-hexyne (142-30-3) → 2,5-dimethyl-2,5-dihydroperoxy-3-hexyne (3491-36-9)

Guidance literature:

With sulfuric acid; dihydrogen peroxide;

DOI:10.1021/ja01126a033

Reference yield:

→ 2,5-dimethyl-2,5-dihydroperoxy-3-hexyne (3491-36-9)

Guidance literature:

/BRN= 969835/, H2O2 in Ggw. von H2SO4;

Reference yield: 62.0%

2,5-dimethyl-2,5-dihydroperoxy-3-hexyne (3491-36-9) + 3-chloro-3-phenylphthalide (18852-53-4) → 2,5-bis(o-benzoylbenzoyldioxy)-2,5-dimethyl-3-hexyne (136664-87-4)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; benzene; at 0 - 5 ℃; for 4h;

DOI:10.1246/bcsj.64.3538

upstream raw materials:

2,5-dihydroxy-2,5-dimethyl-3-hexyne

Downstream raw materials:

2,5-dimethyl-2,5-bis(tert-butylperoxy)-3-hexyne

2,5-dimethyl-2,5-bis(p-bromo-α,α-dimethylbenzylperoxy)-3-hexyne

2,5-bis(o-benzoylbenzoyldioxy)-2,5-dimethyl-3-hexyne

2,5-bis<(1-phenyl-3-oxo-1,3-dihydro-1-isobenzofuranyl)dioxy>-2,5-dimethyl-3-hexyne

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