Ethyl tetrahydrofuran-2-carboxylate

Base Information

• Chemical Name: Ethyl tetrahydrofuran-2-carboxylate
• CAS No.: 16874-34-3
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• Hs Code.: 2932190090
• European Community (EC) Number: 807-745-8
• DSSTox Substance ID: DTXSID70435562
• Nikkaji Number: J370.688E
• Mol file: 16874-34-3.mol

Synonyms:16874-34-3;Ethyl tetrahydrofuran-2-carboxylate;ETHYL TETRAHYDRO-2-FUROATE;Ethyl Oxolane-2-carboxylate;Ethyl 2-tetrahydrofuroate;2-Furancarboxylic acid, tetrahydro-, ethyl ester;EC 807-745-8;Ethyltetrahydro-2-furoate;ethyl 2-tetrahydrofuranoate;ethyl tetrahydrofurancarboxylate;SCHEMBL1813924;DTXSID70435562;Ethyltetrahydrofuran-2-carboxylate;GQQLWKZRORYGHY-UHFFFAOYSA-N;AM9878;MFCD08063871;AKOS008949050;SB45790;SB46170;AS-14748;CS-0109401;FT-0601525;tetrahydrofuran-2-carboxylic acid ethyl ester;F19887;A811011;J-521283

Chemical Property of Ethyl tetrahydrofuran-2-carboxylate

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.879mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 180.813 °C at 760 mmHg
• Flash Point: 65.583 °C
• PSA: 35.53000
• Density: 1.077 g/cm³
• LogP: 0.72850
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

EthylTetrahydro-2-fuorate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCO1
• Uses: Ethyl Tetrahydro-2-fuorate is a useful reactant for the synthesis of spiro/fused dihydrofurans and dihydropyrans.

Technology Process of Ethyl tetrahydrofuran-2-carboxylate

There total 10 articles about Ethyl tetrahydrofuran-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: 96.9%

Ethyl 2-furoate (614-99-3) → ethyl tetrahydrofurancarboxylate (16874-34-3,375825-11-9,375825-10-8)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; at 30 - 150 ℃; under 15001.5 Torr; Large scale;

Reference yield: 91.0%

tetrahydro-2-furancarboxylic acid (16874-33-2) + ethanol (64-17-5) → ethyl tetrahydrofurancarboxylate (16874-34-3,375825-11-9,375825-10-8)

Guidance literature:

With sulfuric acid; for 16h; Heating / reflux;

Reference yield: 91.0%

tetrahydro-2-furancarboxylic acid (16874-33-2) → ethyl tetrahydrofurancarboxylate (16874-34-3,375825-11-9,375825-10-8)

Guidance literature:

With sulfuric acid; In ethanol; water;

upstream raw materials:

2-furanoic acid

ethanol

acetaldehyde

Ethyl 2-furoate

Downstream raw materials:

(S)-tetrahydro-2-furoic acid

(R)-tetrahydro-2-furoic acid

ethyl (S)-tetrahydrofuran-2-carboxylate

ethyl (R)-tetrahydrofuran-2-carboxylate

Refernces

• 1、 Skurko, M. R.,Yakovlev, I. P.,Ramazanov, O. M.,Sosnovskaya, T. A.,Karakhanov, R. A.. "PROTON-ACCEPTOR PROPERTIES OF CARBONYL-CONTAINING DERIVATIVES OF 2-TETRAHYDROFUROIC ACID". . p. 1796 - 1798. Retrieved 1982.
• 2、 -. "SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS". Paragraph 0467. . Retrieved 2017/05/27.
• 3、 -. "NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS". Page/Page column 46. . Retrieved 2011/06/19.