(5-Acetyloxy-3,4-dioxohexan-2-yl) acetate

Base Information

• Chemical Name: (5-Acetyloxy-3,4-dioxohexan-2-yl) acetate
• CAS No.: 111480-79-6
• Molecular Formula: C10H14O6
• Molecular Weight: 230.218
• DSSTox Substance ID: DTXSID30549235
• Mol file: 111480-79-6.mol

Synonyms:2,5-di-O-acetyl-1,6-dideoxyhexo-3,4-diulose;(5-acetyloxy-3,4-dioxohexan-2-yl) acetate;111480-79-6;DTXSID30549235

Chemical Property of (5-Acetyloxy-3,4-dioxohexan-2-yl) acetate

Chemical Property:

• PSA: 86.74000
• LogP: 0.02780
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 230.07903816
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (5-Acetyloxy-3,4-dioxohexan-2-yl) acetate

There total 1 articles about (5-Acetyloxy-3,4-dioxohexan-2-yl) acetate 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: 7.0%

meso-2,5-Diacetoxy-3-hexin (21784-84-9) → 2-acetoxypropionic acid (535-17-1) + 2,5-bisacetoxyhexane-3,4-dione (111480-79-6)

Guidance literature:

ruthenium(IV) oxide; In tetrachloromethane; at 0 - 5 ℃; electrolyse: aq. buffered NaCl (pH 4), platinum electrodes, 20 mA/cm², electricity: 6.1 F/mol;

DOI:10.1055/s-1987-27950

Reference yield:

2,5-bisacetoxyhexane-3,4-dione (111480-79-6) → 4-hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one (26494-10-0)

Guidance literature:

With sodium sulfide; In ethanol; for 12h; Yield given; Ambient temperature;

DOI:10.1021/jf960456t

Reference yield:

2,5-bisacetoxyhexane-3,4-dione (111480-79-6) → 2,5-dihydroxy-hexane-3,4-dione (26047-60-9)

Guidance literature:

With hydrogen cation; In water;

DOI:10.1016/j.tetlet.2004.09.110

upstream raw materials:

meso-2,5-Diacetoxy-3-hexin

Downstream raw materials:

4-hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one

2,5-dihydroxy-hexane-3,4-dione