Ethyl (2,3-dihydro-1-benzofuran-2-yl)acetate

Base Information

• Chemical Name: Ethyl (2,3-dihydro-1-benzofuran-2-yl)acetate
• CAS No.: 130106-48-8
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• DSSTox Substance ID: DTXSID40495613
• Mol file: 130106-48-8.mol

Synonyms:130106-48-8;ethyl 2-(2,3-dihydro-1-benzofuran-2-yl)acetate;3-BENZOFURANACETIC ACID, 2,3-DIHYDRO, ETHYL ESTER;Ethyl (2,3-dihydro-1-benzofuran-2-yl)acetate;DTXSID40495613

Chemical Property of Ethyl (2,3-dihydro-1-benzofuran-2-yl)acetate

Chemical Property:

• PSA: 35.53000
• LogP: 1.94330
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

2,3-DIHYDRO-3-BENZOFURANACETIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC1CC2=CC=CC=C2O1

Technology Process of Ethyl (2,3-dihydro-1-benzofuran-2-yl)acetate

There total 2 articles about Ethyl (2,3-dihydro-1-benzofuran-2-yl)acetate 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:

5-chlorobenzofuran-3(2H)-one (3261-05-0) → ethyl 2,3-dihydrobenzo[1,2-b]furan-3-acetate (130106-48-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran / 0.5 h / 20 °C / Cooling with ice

1.2: 3 h / 20 °C

2.1: palladium 10% on activated carbon; hydrogen / ethanol / 20 °C

With palladium 10% on activated carbon; hydrogen; sodium hydride; In tetrahydrofuran; ethanol;

Reference yield:

(E)-4-(2-Iodo-phenoxy)-but-2-enoic acid ethyl ester (881015-10-7) → γ-phenoxybutyric acid ethyl ester (2364-59-2) + ethyl 2,3-dihydrobenzo[1,2-b]furan-3-acetate (130106-48-8)

Guidance literature:

With sodium tetrahydroborate; In N,N-dimethyl-formamide; for 5h; UV-irradiation;

DOI:10.1055/s-2005-872243

Reference yield: 75.0%

2,3-dichloro-5,6-dicyano-1,4-benzoquinone {DDQ} + ethyl 2,3-dihydrobenzo[1,2-b]furan-3-acetate (130106-48-8) → benzofuran-3-yl-acetic acid ethyl ester (82156-58-9)

Guidance literature:

In toluene;

upstream raw materials:

(E)-4-(2-Iodo-phenoxy)-but-2-enoic acid ethyl ester

5-chlorobenzofuran-3(2H)-one

Downstream raw materials:

3-(benzofuran-3-yl)propionic acid

benzofuran-3-yl-acetic acid ethyl ester