Acetic acid, 2,2'-(2-hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))di-, diethyl ester

Base Information

• Chemical Name: Acetic acid, 2,2'-(2-hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))di-, diethyl ester
• CAS No.: 112489-28-8
• Molecular Formula: C27H32 O11
• Molecular Weight: 532.5364
• DSSTox Substance ID: DTXSID50150064
• Wikidata: Q83015995
• Mol file: 112489-28-8.mol

Synonyms:BRN 5685185;Acetic acid, 2,2'-(2-hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))di-, diethyl ester;1,3-Bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol;2,2'-(2-Hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))diacetic acid diethyl ester;112489-28-8;DTXSID50150064;C27H32O11;C27-H32-O11

Chemical Property of Acetic acid, 2,2'-(2-hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))di-, diethyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 18
• Exact Mass: 532.19446183
• Heavy Atom Count: 38
• Complexity: 708

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC=CC(=C1C(=O)C)OCC(COC2=C(C(=CC=C2)OCC(=O)OCC)C(=O)C)O

Technology Process of Acetic acid, 2,2'-(2-hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))di-, diethyl ester

There total 2 articles about Acetic acid, 2,2'-(2-hydroxytrimethylenebis(oxy(2-acetyl-m-phenylene)oxy))di-, diethyl ester 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: 75.0%

(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone) (16150-44-0) + ethyl bromoacetate (105-36-2) → 1,3-bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol (112489-28-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 3h; Ambient temperature;

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

Reference yield:

2,6-dihydroxylacetophenone (699-83-2) → 1,3-bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol (112489-28-8)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 75 percent / K₂CO₃ / dimethylformamide / 3 h / Ambient temperature

With sodium hydroxide; potassium carbonate; In ethanol; N,N-dimethyl-formamide;

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

Reference yield: 90.0%

acetic anhydride (108-24-7) + 1,3-bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol (112489-28-8) → 1,3-bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-acetoxypropane (112489-27-7)

Guidance literature:

With pyridine; Ambient temperature;

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)

ethyl bromoacetate

2,6-dihydroxylacetophenone

Downstream raw materials:

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

1-(2-carbethoxy-3-methylbenzofuranyl-4-oxy)-(3-methylbenzofuranyl-4-oxy)-2-propanol

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

1,3-bis(2-carbethoxy-3-methylbenzofuranyl-4-oxy)-2-propanol