1,1,4,4-Tetramethylbutane-1,4-diyl diacetate

Base Information

• Chemical Name: 1,1,4,4-Tetramethylbutane-1,4-diyl diacetate
• CAS No.: 56323-20-7
• Molecular Formula: C12H22O4
• Molecular Weight: 230.304
• European Community (EC) Number: 260-110-1
• DSSTox Substance ID: DTXSID20204866
• Nikkaji Number: J296.637I
• Wikidata: Q83078334
• Mol file: 56323-20-7.mol

Synonyms:56323-20-7;1,1,4,4-Tetramethylbutane-1,4-diyl diacetate;(5-acetyloxy-2,5-dimethylhexan-2-yl) acetate;EINECS 260-110-1;2,5-diacetoxy-2,5-dimethylhexane;SCHEMBL9138775;DTXSID20204866;AKOS024340938;2,5-dimethyl-2,5-hexanediol diacetate;4-(acetyloxy)-1,1,4-trimethylpentyl acetate

Chemical Property of 1,1,4,4-Tetramethylbutane-1,4-diyl diacetate

Chemical Property:

• Vapor Pressure: 0.00399mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 279.6 °C at 760 mmHg
• Flash Point: 126.6 °C
• PSA: 52.60000
• Density: 0.985 g/cm³
• LogP: 2.45000
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 230.15180918
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

5-(Acetyloxy)-2,5-dimethylhexan-2-ylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(C)(C)CCC(C)(C)OC(=O)C

Technology Process of 1,1,4,4-Tetramethylbutane-1,4-diyl diacetate

There total 4 articles about 1,1,4,4-Tetramethylbutane-1,4-diyl diacetate 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: 40.0%

vinyl acetate (108-05-4,9003-20-7) + 2,5-dimethyl-1,5-hexadiene (627-58-7) → 2,5-diacetoxy-2,5-dimethylhexane (56323-20-7) + 5-acetoxy-2,5-dimethylhex-1-ene (1292801-56-9)

Guidance literature:

With ruthenium hydroxide trichloride; In dichloromethane; at 180 ℃; for 2h; Autoclave; Inert atmosphere;

DOI:10.1134/S1070428011020011

Reference yield:

2,5-dimethyl-2,5-hexanediol (110-03-2) + acetic anhydride (108-24-7) → 2,5-diacetoxy-2,5-dimethylhexane (56323-20-7)

Guidance literature:

With diethyl ether; phosphoric acid;

Reference yield:

2,5-dimethyl-2,5-diacetoxy-3-hexyne (34106-07-5) → 2,5-diacetoxy-2,5-dimethylhexane (56323-20-7)

Guidance literature:

With ethanol; platinum; Hydrogenation;

upstream raw materials:

2,5-dimethyl-2,5-diacetoxy-3-hexyne

2,5-dimethyl-2,5-hexanediol

acetic anhydride

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

Refernces