1,3-Bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane

Base Information

• Chemical Name: 1,3-Bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane
• CAS No.: 112489-26-6
• Molecular Formula: C25H26 O10
• Molecular Weight: 486.4679
• DSSTox Substance ID: DTXSID90150063
• Wikidata: Q83015994
• Mol file: 112489-26-6.mol

Synonyms:1,3-Bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane;2',2'''-(2-Hydroxytrimethylenedioxy)bis(6-hydroxyacetophenone) triacetate;Acetophenone, 2',2'''-(2-hydroxytrimethylenedioxy)bis(6-hydroxy-, triacetate (ester);Ethanone, 1,1'-((2-(acetyloxy)-1,3-propanediyl)bis(oxy(6-(acetyloxy)-2,1-phenylene)))bis-;112489-26-6;DTXSID90150063

Chemical Property of 1,3-Bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane

Chemical Property:

• Vapor Pressure: 1.6E-15mmHg at 25°C
• Boiling Point: 624.7°Cat760mmHg
• Flash Point: 266.4°C
• Density: 1.247g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 486.15259702
• Heavy Atom Count: 35
• Complexity: 722

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC=C1OC(=O)C)OCC(COC2=C(C(=CC=C2)OC(=O)C)C(=O)C)OC(=O)C

Technology Process of 1,3-Bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane

There total 4 articles about 1,3-Bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane 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: 68.0%

(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone) (16150-44-0) + acetic anhydride (108-24-7) → 1,3-bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane (112489-26-6)

Guidance literature:

With pyridine; for 24h; Ambient temperature;

DOI:10.1016/0223-5234(87)90011-0

Reference yield: 14.0%

1,3-bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol (112489-28-8) → 1-(2-carbethoxy-3-methylbenzofuranyl-4-oxy)-(3-methylbenzofuranyl-4-oxy)-2-propanol (112489-24-4) + 1,3-bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane (112489-26-6) + 1,3-bis(2-carbethoxy-3-methylbenzofuranyl-4-oxy)-2-propanol (112489-23-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 24h;

DOI:10.1016/0223-5234(87)90011-0

Reference yield:

2,6-dihydroxylacetophenone (699-83-2) → 1,3-bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane (112489-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / NaOH / ethanol / 24 h / Heating

2: 68 percent / pyridine / 24 h / Ambient temperature

With pyridine; sodium hydroxide; In ethanol;

DOI:10.1016/0223-5234(87)90011-0

upstream raw materials:

(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)

acetic anhydride

1,3-bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol

2,6-dihydroxylacetophenone