Ethyl 3-furoate

Base Information

• Chemical Name: Ethyl 3-furoate
• CAS No.: 614-98-2
• Molecular Formula: C7H8O3
• Molecular Weight: 140.139
• Hs Code.: 29321900
• European Community (EC) Number: 210-403-5
• NSC Number: 349939
• UNII: I8Q0YN919K
• DSSTox Substance ID: DTXSID90210333
• Nikkaji Number: J297.792C
• Wikidata: Q27280581
• Mol file: 614-98-2.mol

Synonyms:Ethyl 3-furoate;ethyl furan-3-carboxylate;614-98-2;Ethyl 3-Furancarboxylate;3-Furancarboxylic acid, ethyl ester;UNII-I8Q0YN919K;I8Q0YN919K;3-Furancarboxylic Acid Ethyl Ester;EINECS 210-403-5;MFCD00005348;NSC-349939;ETHYL-3-FUROATE;ethyl 3furoate;Furan-3-carboxylic acid ethyl ester;ethylfuran-3-carboxylate;ethyl uran-3-carboxylate;Ethyl 3-furoate, 98%;3-Furoic Acid Ethyl Ester;SCHEMBL624090;DTXSID90210333;CHEBI:193961;GEO-03433;NSC349939;AKOS009165562;CS-W020542;NSC 349939;SB61197;AC-25743;SY050805;TS-01823;F0463;FT-0626029;EN300-171655;N11964;J-800083;Q27280581

Chemical Property of Ethyl 3-furoate

Chemical Property:

• Appearance/Colour: clear slightly yellow to yellow liquid
• Vapor Pressure: 0.719mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 184.8 °C at 760 mmHg
• Flash Point: 60.4 °C
• PSA: 39.44000
• Density: 1.106 g/cm³
• LogP: 1.45630
• Storage Temp.: Keep Cold
• XLogP3: 1.8
• 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:

98%,99%, ^*data from raw suppliers

Ethyl 3-furoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,H226
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1=COC=C1
• Uses: Ethyl 3-furoate was used as starting reagent for the synthesis of ethyl 2,3-bis(trifluoromethyl)-7-oxabicyclo[2,2,1]hepta-2,5-diene-5-carboxylate and 4-(1-hydroxy-1-methyl-ethyl)-furan-2-sulfonamide.

Technology Process of Ethyl 3-furoate

There total 23 articles about Ethyl 3-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: 75.0%

3-Furoic acid (488-93-7) + ethanol (64-17-5) → ethyl 3-furancarboxylate (614-98-2)

Guidance literature:

at 350 ℃; for 0.0666667h; Supercritical conditions; Flow reactor; High pressure;

DOI:10.1021/acs.oprd.7b00063

Reference yield: 70.0%

ethanol (64-17-5) + 2,2,2-trichloro-1-(furan-3-yl)ethan-1-one (743420-66-8) → ethyl 3-furancarboxylate (614-98-2)

Guidance literature:

With triethylamine; at 65 ℃; for 16h;

DOI:10.1016/j.tetlet.2004.05.109

Reference yield: 44.0%

5-Acetoxy-4,5-dihydro-furan-3-carboxylic acid ethyl ester (128780-05-2) → ethyl 3-furancarboxylate (614-98-2)

Guidance literature:

With acetic acid; for 40h; Heating;

DOI:10.1021/jo00303a048

upstream raw materials:

3-Furoic acid

ethanol

furan-3-carbonyl chloride

3,4-Furandicarboxylic Acid Monoethyl Ester

Downstream raw materials:

Ethyl β-oxo-3-furanpropionate

ethyl 5-formylfuran-3-carboxylate

3-furoylcarbohydrazide

3-(3-Furoyl)-1,7-dimethyl-4-oxo-chinolizidin

Refernces

• 1、 -. "Sulfonamide compound and medical applications thereof". Paragraph 0056-0059. . Retrieved 2019/02/13.
• 2、 Montana, Angel M.,Grima, Pedro M.,Batalla, Consuelo,Kociok-Koehn, Gabriele. "Synthesis of C3-substituted enantiopure 2-(p-tolylsulfinyl)-furans: The sulfoxide group as a chiral inductor for furan dienes as precursors of a wide variety of chiral intermediates". . p. 677 - 689. Retrieved 2014/05/20.