Ethyl 2-furoate

Base Information

• Chemical Name: Ethyl 2-furoate
• CAS No.: 614-99-3
• Molecular Formula: C7H8O3
• Molecular Weight: 140.139
• Hs Code.: 29329990
• European Community (EC) Number: 215-631-9,210-404-0
• NSC Number: 2304
• UNII: S1H449R92T
• DSSTox Substance ID: DTXSID0060640
• Nikkaji Number: J7.026B
• Wikidata: Q27288446
• Metabolomics Workbench ID: 78643
• ChEMBL ID: CHEMBL4634762
• Mol file: 614-99-3.mol

Synonyms:ETHYL 2-FUROATE;Ethyl furan-2-carboxylate;614-99-3;Ethyl furoate;1335-40-6;2-Furancarboxylic acid, ethyl ester;Ethyl 2-furancarboxylate;Ethyl pyromucate;Ethyl2-furoate;Ethyl-2-furoate;2-Carboethoxyfuran;Furan-2-carboxylic acid ethyl ester;2-Furoic acid, ethyl ester;Ethyl 2-furylcarboxylate;2-(Ethoxycarbonyl)furan;Furoic acid, ethyl ester;NSC 2304;Furancarboxylic acid, ethyl ester;EINECS 210-404-0;Ethyl 2-furan carboxylate;BRN 0002653;UNII-31OM7UT24E;UNII-S1H449R92T;AI3-23056;S1H449R92T;2-Furancarboxylic Acid Ethyl Ester;NSC-2304;EINECS 215-631-9;MFCD00003237;ethyl uran-2-carboxylate;Ethyl 2-furoate, 99%;WLN: T5OJ BVO2;2-Furoic Acid Ethyl Ester;2-Furancarboxylic acid ethyl;SCHEMBL859237;31OM7UT24E;CHEMBL4634762;DTXSID0060640;NSC2304;CHEBI:169174;Ethyl 2-furoate, >=98%, FG;BBL001830;STK037149;AKOS000119259;2-FUROIC ACID ETHYL ESTER [MI];AS-14743;BP-13163;LS-70795;SY013608;CS-0015334;F0098;FT-0625750;EN300-16109;H11621;A833268;J-640081;W-105147;Q27288446;Z54848724;F0001-1621;Furancarboxylic acid, ethyl ester, 2-;(Ethyl furoate)

Chemical Property of Ethyl 2-furoate

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Melting Point: 32-37 °C(lit.)
• Refractive Index: 1.4797 (estimate)
• Boiling Point: 196.799 °C at 760 mmHg
• Flash Point: 70.566 °C
• PSA: 39.44000
• Density: 1.106 g/cm³
• LogP: 1.45630
• Storage Temp.: 2-8°C
• Water Solubility.: INSOLUBLE
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-furoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,F+
• Hazard Codes: F,F+
• Statements: 11
• Safety Statements: 16-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CO1

Technology Process of Ethyl 2-furoate

There total 58 articles about Ethyl 2-furoate 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: 99.0%

2-hydroxy-1,1,2-trimethylpropyl ethylcarbamate (743477-27-2) + 2-furanoic acid (88-14-2) → 4,4,5,5-tetramethyl-1,3-dioxolan-2-one (19424-29-4) + Ethyl 2-furoate (614-99-3)

Guidance literature:

With tert.-butylnitrite; 3 A molecular sieve; In dichloromethane; at 60 ℃; for 12h;

DOI:10.1246/bcsj.77.1217

Reference yield: 96.0%

2-furanoic acid (88-14-2) + ethanol (64-17-5) → Ethyl 2-furoate (614-99-3)

Guidance literature:

With graphene oxide; at 100 ℃; for 24h;

DOI:10.1055/s-0036-1588399

Reference yield: 95.0%

2-furoic acid methyl ester (611-13-2) + ethyl bromoacetate (105-36-2) → Ethyl 2-furoate (614-99-3)

Guidance literature:

ethyl bromoacetate; With zinc; In tetrahydrofuran; at 50 - 55 ℃; for 0.333333h;

2-furoic acid methyl ester; In tetrahydrofuran; for 8h; Heating;

DOI:10.1016/S0040-4020(03)00472-1

upstream raw materials:

pyridine

nitromethane

sodium ethanolate

furil

Downstream raw materials:

1,3-bis(furan-2-yl)propane-1,3-dione

2-Furyl-quinaldylketon

3-furan-2-yl-3-oxo-propionic acid methyl ester

5-[(chloroacetyl-amino)-methyl]-furan-2-carboxylic acid ethyl ester

Refernces

• 1、 Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul. "Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates". supporting information. p. 5022 - 5037. Retrieved 2021/05/04.
• 2、 Gavara, Laurent,Legru, Alice,Verdirosa, Federica,Sevaille, Laurent,Nauton, Lionel,Corsica, Giuseppina,Mercuri, Paola Sandra,Sannio, Filomena,Feller, Georges,Coulon, Rémi,De Luca, Filomena,Cerboni, Giulia,Tanfoni, Silvia,Chelini, Giulia,Galleni, Moreno,Docquier, Jean-Denis,Hernandez, Jean-Fran?ois. "4-Alkyl-1,2,4-triazole-3-thione analogues as metallo-β-lactamase inhibitors". supporting information. . Retrieved 2021/06/15.