Ethyl 2-furanpropionate

Base Information

• Chemical Name: Ethyl 2-furanpropionate
• CAS No.: 10031-90-0
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• Hs Code.: 2932190090
• European Community (EC) Number: 233-097-5
• NSC Number: 97529
• UNII: 2RAP445QD8
• DSSTox Substance ID: DTXSID0064917
• Nikkaji Number: J241.236E
• Wikidata: Q27255504
• Metabolomics Workbench ID: 45784
• Mol file: 10031-90-0.mol

Synonyms:10031-90-0;Ethyl 3-(2-furyl)propionate;Ethyl 2-furanpropionate;ethyl 3-(furan-2-yl)propanoate;2-Furanpropanoic acid, ethyl ester;Ethyl 3-(2-furyl)propanoate;Ethyl furfhydracrylate;Ethyl furfurylacetate;2-Furanpropionic acid, ethyl ester;Ethyl 2-furanpropanoate;Ethyl furan-2-propionate;Ethyl furfurylhydracrylate;Ethyl beta-furylpropionate;FEMA No. 2435;Ethyl 3-(alpha-furyl)propionate;ETHYL 3(2-FURYL)PROPANOATE;Ethyl .beta.-furylpropionate;UNII-2RAP445QD8;2RAP445QD8;ethyl 3-(2-furyl) propanoate;Ethyl 3-(.alpha.-furyl)propionate;EINECS 233-097-5;NSC 97529;NSC-97529;Ethyl alpha-furyl)propionate;SCHEMBL64663;2-(2'-carbethoxyethyl)furan;Ethyl-3-(2-furyl)propanoate;3-furyl-propanoicacidethylester;ethyl 3-(2-furanyl)propionate;ethyl 3-(uran-2-yl)propanoate;DTXSID0064917;ethyl 3-(2-furanyl)-propionate;FEMA 2435;2-Furanpropanoic acid,ethyl ester;2-Furanpropionic acid ethyl ester;CHEBI:173767;2-Furanepropanoic acid ethyl ester;2-Furanpropanoic Acid Ethyl Ester;ethyl 3-(furan-2-yl) propanoate;3-furyl-propanoic acid ethyl ester;NSC97529;MFCD00036496;AKOS009165770;3-(2-Furyl)propionic acid ethyl ester;ETHYL 2-FURANPROPIONATE [FHFI];AS-62020;2-Furanpropionic acid, ethyl ester (8CI);CS-0130729;FT-0636618;Ethyl 3-(furan-2-yl)propionate, >=98%, FG;Q27255504

Chemical Property of Ethyl 2-furanpropionate

Chemical Property:

• Vapor Pressure: 0.148mmHg at 25°C
• Refractive Index: n20/D 1.459(lit.)
• Boiling Point: 215.4 °C at 760 mmHg
• Flash Point: 92.3 °C
• PSA: 39.44000
• Density: 1.064 g/cm³
• LogP: 1.77530
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

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

Ethyl 3-(furan-2-yl)propionate ≥98%, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=CO1

Technology Process of Ethyl 2-furanpropionate

There total 19 articles about Ethyl 2-furanpropionate 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: 97.0%

ethyl (E)-3-(2-furyl)prop-2-enoate (53282-12-5,53282-26-1) → ethyl 3-(furan-2-yl)propanoate (10031-90-0)

Guidance literature:

With hydrogen; Wilkinson's catalist; In tetrahydrofuran; at 45 ℃; for 18h; under 2585.81 Torr;

Reference yield: 89.0%

2-Chloromethylfuran (617-88-9) + chloroacetic acid ethyl ester (105-39-5) → ethyl 3-(furan-2-yl)propanoate (10031-90-0)

Guidance literature:

2-Chloromethylfuran; With magnesium; In diethyl ether; at -5 ℃; for 1h;

chloroacetic acid ethyl ester; In diethyl ether; at 20 ℃; for 6h;

Reference yield: 74.0%

furfural (98-01-1) + ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → ethyl 3-(furan-2-yl)propanoate (10031-90-0)

Guidance literature:

With N,N-dimethyl acetamide; palladium 10% on activated carbon; hydrogen; In ethanol; water; at 20 ℃; for 21h; under 760.051 Torr; chemoselective reaction;

DOI:10.1021/acs.orglett.0c01874

upstream raw materials:

ethyl (E)-3-(2-furyl)prop-2-enoate

ethanol

ethyl 3-(3,4-dichlorophenylthio)-3-(2-furyl)propanoate

3-(2-furyl)-propanoic acid chloride

Downstream raw materials:

ethyl 3-(5-(7-(benzyloxy)hept-1-enyl)furan-2-yl)propanoate

Refernces

• 1、 Devlin, Rory,Jones, David J.,Mcglacken, Gerard P.. "One-Pot, Tandem Wittig Hydrogenation: Formal C(sp3)-C(sp3) Bond Formation with Extensive Scope". . p. 5223 - 5228. Retrieved 2020.
• 2、 -. "Preparation method of medium-and-long chain fatty carboxylic acid". Paragraph 0040-0044. . Retrieved 2019/04/04.
• 3、 -. "NOVEL COMPOUNDS". Page/Page column 96. . Retrieved 2008/12/06.