Propyl 2-furoate

Base Information

• Chemical Name: Propyl 2-furoate
• CAS No.: 615-10-1
• Molecular Formula: C8H10O3
• Molecular Weight: 154.166
• Hs Code.: 2932190090
• European Community (EC) Number: 210-407-7
• NSC Number: 35559
• UNII: 73AJ7QL41Q
• DSSTox Substance ID: DTXSID00210465
• Nikkaji Number: J49.605G
• Wikidata: Q27266167
• Metabolomics Workbench ID: 47907
• Mol file: 615-10-1.mol

Synonyms:Propyl 2-furoate;615-10-1;propyl furan-2-carboxylate;Propyl 2-furancarboxylate;Propyl furoate;2-Furoic acid, propyl ester;2-Furancarboxylic acid n-propyl ester;n-Propyl furoate;Propyl pyromucate;2-Furancarboxylic acid, propyl ester;2-FUROIC ACID, n-PROPYL ESTER;FEMA No. 2946;EINECS 210-407-7;NSC 35559;1340-10-9;BRN 0116684;UNII-73AJ7QL41Q;AI3-23590;73AJ7QL41Q;NSC-35559;2-Furancarboxylic acid, propyl ester (9CI);propylfuran-2-carboxylate;propyl uran-2-carboxylate;WLN: T5OJ BVO3;2-Furoic Acid Propyl Ester;Propyl 2-furoate, AldrichCPR;PROPYL .ALPHA.-FUROATE;SCHEMBL1532433;FEMA 2946;DTXSID00210465;PROPYL 2-FUROATE [FHFI];CHEBI:173659;NSC35559;2-Furancarboxylic Acid Propyl Ester;furan-2-carboxylic acid propyl ester;MFCD00046108;AKOS008947971;LS-3074;CS-0326867;F0155;FT-0632568;D90636;A918260;Q27266167

Chemical Property of Propyl 2-furoate

Chemical Property:

• Refractive Index: 1.4720 to 1.4770
• Boiling Point: 212.6 °C at 760 mmHg
• Flash Point: 82.4 °C
• PSA: 39.44000
• Density: 1.077 g/cm³
• LogP: 1.84640
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2-FurancarboxylicAcidN-PropylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=CC=CO1
• Uses: Flavoring.

Technology Process of Propyl 2-furoate

There total 9 articles about Propyl 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: 79.0%

furfural (98-01-1) + propan-1-ol (71-23-8) → propyl furan-2-carboxylate (615-10-1)

Guidance literature:

With 1-hydroxy-pyrrolidine-2,5-dione; oxygen; copper(II) nitrate; at 30 ℃; for 24h; under 15001.5 Torr; Autoclave;

Reference yield: 78.0%

propan-1-ol (71-23-8) + 2-furanoic acid (88-14-2) → propyl furan-2-carboxylate (615-10-1)

Guidance literature:

With silphos; at 20 ℃; for 0.166667h; Neat (no solvent);

DOI:10.1080/00397911.2011.555903

Reference yield: 13.0%

2-(dipropoxymethyl)furan (1204-93-9) → furfural (98-01-1) + propyl furfuryl ether (65679-81-4) + propyl furan-2-carboxylate (615-10-1)

Guidance literature:

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

upstream raw materials:

propan-1-ol

2-furanoic acid

2-(dipropoxymethyl)furan

furan-2-carboxylic acid amide

Refernces

• 1、 Tong, Xinli,Yu, Linhao,Luo, Xuan,Zhuang, Xuli,Liao, Shengyun,Xue, Song. "Efficient and selective transformation of biomass-derived furfural with aliphatic alcohols catalyzed by a binary Cu-Ce oxide". . p. 175 - 180. Retrieved 2017.
• 2、 Tong,Zhang, Zhenya,Gao, Yiqi,Zhang, Yue,Yu, Linhao,Li, Yongdan. "Selective carbon-chain increasing of renewable furfural utilizing oxidative condensation reaction catalyzed by mono-dispersed palladium oxide". . . Retrieved 2019/08/12.