5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate

Base Information

• Chemical Name: 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate
• CAS No.: 85117-87-9
• Molecular Formula: C16H16 O9
• Molecular Weight: 352.298
• Hs Code.: 2915390090
• European Community (EC) Number: 285-637-4
• NSC Number: 114896
• DSSTox Substance ID: DTXSID50234232
• Nikkaji Number: J309.737D
• Wikidata: Q83115978
• Mol file: 85117-87-9.mol

Synonyms:85117-87-9;5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate;[2-oxo-2-(3,4,5-triacetyloxyphenyl)ethyl] acetate;EINECS 285-637-4;NSC114896;DTXSID50234232;NSC 114896;NSC-114896;10.14272/YBPOUYKRSJRDEC-UHFFFAOYSA-N;doi:10.14272/YBPOUYKRSJRDEC-UHFFFAOYSA-N;2-(Acetyloxy)-1-[3,4,5-tris(acetyloxy)phenyl]ethanone

Chemical Property of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate

Chemical Property:

• Vapor Pressure: 3.76E-10mmHg at 25°C
• Boiling Point: 500.6°C at 760 mmHg
• Flash Point: 221.2°C
• PSA: 122.27000
• Density: 1.303g/cm³
• LogP: 1.20830
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 352.07943208
• Heavy Atom Count: 25
• Complexity: 528

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1=CC(=C(C(=C1)OC(=O)C)OC(=O)C)OC(=O)C

Technology Process of 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate

There total 8 articles about 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate 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: 90.0%

→ 2,3',4',5'-tetraacetoxyacetophenone (85117-87-9)

Guidance literature:

Reference yield: 75.0%

2-Chlor-1-(3,4,5-triacetoxyphenyl)ethanon (97443-98-6) + acetic anhydride (108-24-7) → 2,3',4',5'-tetraacetoxyacetophenone (85117-87-9)

Guidance literature:

With sulfuric acid; potassium acetate; acetic acid; at 100 ℃; for 3h;

DOI:10.1002/jlcr.1120

Reference yield:

3,4,5-triacetoxybenzoyl chloride (70475-59-1) → 2,3',4',5'-tetraacetoxyacetophenone (85117-87-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / CHCl₃; diethyl ether / 0.5 h / -10 °C

2: 87 percent / hydrogen chloride / dioxane; diethyl ether / 0.5 h / 10 °C

3: 75 percent / acetic acid; potassium acetate; H₂SO₄ / 3 h / 100 °C

With hydrogenchloride; sulfuric acid; potassium acetate; acetic acid; In 1,4-dioxane; diethyl ether; chloroform;

DOI:10.1002/jlcr.1120

upstream raw materials:

acetic anhydride

acetic acid

2-Chlor-1-(3,4,5-triacetoxyphenyl)ethanon

3,4,5-triacetoxybenzoyl chloride

Downstream raw materials:

3,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chromenylium; chloride

delphinidin chloride

6-hydroxydelphinidin