Ethyl 3-oxo-2,3-dihydrobenzofuran-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-oxo-2,3-dihydrobenzofuran-2-carboxylate
• CAS No.: 13099-95-1
• Molecular Formula: C11H10 O4
• Molecular Weight: 206.19
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50399370
• Nikkaji Number: J1.071.908I
• Mol file: 13099-95-1.mol

Synonyms:Ethyl 3-oxo-2,3-dihydrobenzofuran-2-carboxylate;13099-95-1;2-ETHOXYCARBONYL-3-COUMARANONE;ethyl 3-oxo-1-benzofuran-2-carboxylate;MFCD01075744;ETHYL 3-OXO-2,3-DIHYDRO-1-BENZOFURAN-2-CARBOXYLATE;Ethyl3-oxo-2,3-dihydrobenzofuran-2-carboxylate;ethyl 2,3-dihydro-3-oxo-benzofuran-2-carboxylate;2-ethoxycarbonylcoumaran-3-one;SCHEMBL2197257;DTXSID50399370;XWUJHOIEDXGRML-UHFFFAOYSA-N;ethyl benzofuran-3-one-2-carboxylate;AKOS004122916;AKOS016843336;AM85554;DS-4018;?2-ETHOXYCARBONYL-3-COUMARANONE;BP-10677;SY109488;FT-0612210;C72231;2,3-Dihydro-3-oxobenzofuran-2-carboxylic acid ethyl ester;2-Benzofurancarboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester

Chemical Property of Ethyl 3-oxo-2,3-dihydrobenzofuran-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000246mmHg at 25°C
• Melting Point: 60-62°C
• Refractive Index: 1.551
• Boiling Point: 116°C 0,1mm
• PKA: 9.53±0.20(Predicted)
• Flash Point: 143.8°C
• PSA: 52.60000
• Density: 1.287g/cm³
• LogP: 1.19340
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 206.05790880
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-Oxo-2,3-dihydrobenzofuran-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(=O)C2=CC=CC=C2O1

Technology Process of Ethyl 3-oxo-2,3-dihydrobenzofuran-2-carboxylate

There total 7 articles about Ethyl 3-oxo-2,3-dihydrobenzofuran-2-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: 75.0%

ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate (56424-77-2) → ethyl 2,3-dihydro-3-oxo-benzofuran-2-carboxylate (13099-95-1)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; for 0.5h; Inert atmosphere;

DOI:10.1021/ol502615y

Reference yield: 67.96%

Diethyl 2-bromomalonate (685-87-0) + methyl salicylate (119-36-8,8024-54-2) → ethyl 2,3-dihydro-3-oxo-benzofuran-2-carboxylate (13099-95-1)

Guidance literature:

With potassium carbonate; In acetone; for 13h; Reflux;

Reference yield:

2-hydroxy-benzoic acid ethyl ester (118-61-6) → ethyl 2,3-dihydro-3-oxo-benzofuran-2-carboxylate (13099-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 3 h / 60 °C

2: potassium tert-butylate / tetrahydrofuran / 0.5 h / Inert atmosphere

With potassium tert-butylate; potassium carbonate; In tetrahydrofuran; acetone;

DOI:10.1021/ol502615y

upstream raw materials:

ethyl bromoacetate

methyl salicylate

2-hydroxy-benzoic acid ethyl ester

ethyl 2-(2-ethoxy-2-oxoethoxy)benzoate

Downstream raw materials:

2-Methyl-4-hydroxy-benzofuro<3,2-d>pyrimidin

ethyl 3-p-toluidinobenzofuran-2-carboxylate

3-hydroxybenzofuran-2-carbox-p-anisidide

ethyl 3-p-anisidinobenzofuran-2-carboxylate

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