Butyl 2-furoate

Base Information

• Chemical Name: Butyl 2-furoate
• CAS No.: 583-33-5
• Molecular Formula: C9H12 O3
• Molecular Weight: 168.192
• European Community (EC) Number: 611-643-7
• NSC Number: 5602
• UNII: 1F9715415C
• DSSTox Substance ID: DTXSID30207025
• Nikkaji Number: J21.617H
• Wikidata: Q27252352
• Mol file: 583-33-5.mol

Synonyms:Butyl 2-furoate;Butyl furoate;583-33-5;butyl furan-2-carboxylate;2-Furancarboxylic acid, butyl ester;2-Furoic acid, butyl ester;Butyl2-furoate;Butyl 2-furancarboxylate;2-FUROIC ACID, n-BUTYL ESTER;NSC 5602;BRN 0117938;AI3-00646;UNII-1F9715415C;furan-2-carboxylic acid butyl ester;NSC-5602;1F9715415C;4-18-00-03918 (Beilstein Handbook Reference);WLN: T5OJ BVO4;BUTYL .ALPHA.-FUROATE;SCHEMBL2418046;DTXSID30207025;NSC5602;AKOS006229649;LS-70784;2-Furancarboxylic acid, butyl ester (9CI);FT-0693112;Q27252352

Chemical Property of Butyl 2-furoate

Chemical Property:

• Vapor Pressure: 0.0615mmHg at 25°C
• Refractive Index: 1.4740 (estimate)
• Boiling Point: 231.7°Cat760mmHg
• Flash Point: 93.9°C
• PSA: 39.44000
• Density: 1.053g/cm³
• LogP: 2.23650
• XLogP3: 2.4
• 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:

99% ^*data from raw suppliers

BUTYL-2-FUROATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC=CO1

Technology Process of Butyl 2-furoate

There total 5 articles about Butyl 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: 10.0%

2-furancarboxaldehyde dibutyl acetal (1829-09-0) → furfural (98-01-1) + furfuryl alcohol butyl ether (56920-82-2) + furan-2-carboxylic acid butyl ester (583-33-5)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,2-dichloro-ethane; at 0 ℃; for 0.25h;

Reference yield:

glucaric acid di-n-butyl ester → 2-furanoic acid (88-14-2) + furan-2-carboxylic acid butyl ester (583-33-5)

Guidance literature:

With phenyl sulfonic acid ethyl sulfide silica; In butan-1-ol; at 230 ℃; for 1h; Inert atmosphere;

Reference yield:

meso-galactaric acid (526-99-8,1213827-87-2,7231-46-1) + butan-1-ol (71-36-3) → 2-furanoic acid (88-14-2) + furan-2-carboxylic acid butyl ester (583-33-5) + furan-2,5-monobutylcarboxylic acid (1255097-13-2) + 2,5-furandicarboxylic acid di-n-butyl ester (107821-25-0)

Guidance literature:

With phenyl sulfonic acid ethyl sulfide silica; at 230 ℃; for 2h; Temperature; Reagent/catalyst; Green chemistry;

DOI:10.1039/d0gc02293d

upstream raw materials:

2-furancarboxaldehyde dibutyl acetal

furfural

tetrachloromethane

aluminum isopropoxide

Downstream raw materials:

butyl (+/-)-tetrahydrofuran-2-carboxylate

furan-2,5-dicarboxylic acid dimethyl ester

Refernces

• 1、 -. "METHOD OF PRODUCING FURAN CARBOXYLATES FROM ALDARIC ACIDS BY USING SOLID HETEROGENEOUS CATALYSTS". Paragraph 0045. . Retrieved 2016/10/31.