2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, diethyl ester

Base Information

• Chemical Name: 2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, diethyl ester
• CAS No.: 112489-23-3
• Molecular Formula: C27H28 O9
• Molecular Weight: 496.5058
• DSSTox Substance ID: DTXSID30150062
• Wikidata: Q83015992

Synonyms:BRN 5680264;2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, diethyl ester;1,3-Bis(2-carbethoxy-3-methylbenzofuranyl-4-oxy)-2-propanol;4,4'-(2-Hydroxytrimethylenedioxy)bis(3-methyl-2-benzofurancarboxylic acid) diethyl ester;112489-23-3;DTXSID30150062;LS-35032

Chemical Property of 2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, diethyl ester

Chemical Property:

• Boiling Point: 639.2°Cat760mmHg
• Flash Point: 340.4°C
• Density: 1.28g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 496.17333247
• Heavy Atom Count: 36
• Complexity: 685

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=C(O4)C(=O)OCC)C)O)C

Technology Process of 2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, diethyl ester

There total 1 articles about 2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, 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: 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

upstream raw materials:

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

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