Ethyl benzofuran-3-carboxylate

Base Information

• Chemical Name: Ethyl benzofuran-3-carboxylate
• CAS No.: 194278-43-8
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• European Community (EC) Number: 695-632-2
• DSSTox Substance ID: DTXSID20515520
• Nikkaji Number: J2.343.408C
• Wikidata: Q82376431
• Mol file: 194278-43-8.mol

Synonyms:Ethyl benzofuran-3-carboxylate;194278-43-8;ethyl 1-benzofuran-3-carboxylate;3-Benzofurancarboxylic acid, ethyl ester;Ethylbenzofuran-3-carboxylate;SCHEMBL5259021;DTXSID20515520;AC5125;MFCD12022269;AKOS013433813;SY040041;CS-0361622

Chemical Property of Ethyl benzofuran-3-carboxylate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=COC2=CC=CC=C21

Technology Process of Ethyl benzofuran-3-carboxylate

There total 3 articles about Ethyl benzofuran-3-carboxylate 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%

diazoacetic acid ethyl ester (623-73-4) + 2-methyl-benzyl alcohol (89-95-2) → ethyl 2-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate + 3-hydroxy-2-(2-hydroxy-phenyl)-acrylic acid ethyl ester + benzofuran-3-carboxylic acid ethyl ester (194278-43-8)

Guidance literature:

With tetrafluoroboric acid diethyl ether; In chloroform-d1; cooling;

DOI:10.1055/s-2006-926454

Reference yield: 54.0%

diazoacetic acid ethyl ester (623-73-4) + 2-(1,3-dioxolan-2-yl)phenol (6988-19-8) → benzofuran-3-carboxylic acid ethyl ester (194278-43-8) + ethyl [2-(1,3-dioxolan-2-yl)phenoxy]acetate

Guidance literature:

With dirhodium tetraacetate; at 100 ℃; for 8h;

DOI:10.1134/S1070428018120059

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + 2-(1,3-dioxolan-2-yl)phenol (6988-19-8) → benzofuran-3-carboxylic acid ethyl ester (194278-43-8) + salicylaldehyde (90-02-8)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); at 100 ℃; for 8h;

DOI:10.1134/S1070428018120059

upstream raw materials:

diazoacetic acid ethyl ester

2-methyl-benzyl alcohol

2-(1,3-dioxolan-2-yl)phenol

Downstream raw materials:

benzofurane-3-carboxylic acid

3-hydroxymethylbenzofuran

3-bromomethylbenzofuran

3-acetylbenzo[b]furan