Furfuryl 2-furoate

Base Information

• Chemical Name: Furfuryl 2-furoate
• CAS No.: 615-11-2
• Molecular Formula: C10H8 O4
• Molecular Weight: 192.171
• European Community (EC) Number: 210-408-2
• NSC Number: 57386
• DSSTox Substance ID: DTXSID60210466
• Nikkaji Number: J95.455A
• Wikidata: Q83085195
• Mol file: 615-11-2.mol

Synonyms:Furfuryl 2-furoate;615-11-2;furan-2-ylmethyl furan-2-carboxylate;EINECS 210-408-2;AI3-06109;2-Furancarboxylic acid, 2-furanylmethyl ester;NSC57386;Furfuryl 2-furancarboxylate;SCHEMBL179961;DTXSID60210466;NSC 57386;NSC-57386;furan-2-carboxylic acid furfuryl ester;(furan-2-yl)methyl furan-2-carboxylate

Chemical Property of Furfuryl 2-furoate

Chemical Property:

• Vapor Pressure: 0.00184mmHg at 25°C
• Melting Point: 27.5°C
• Refractive Index: 1.5280 (estimate)
• Boiling Point: 292.4°C at 760 mmHg
• Flash Point: 130.6°C
• PSA: 52.58000
• Density: 1.25g/cm³
• LogP: 2.22960
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 192.04225873
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)COC(=O)C2=CC=CO2

Technology Process of Furfuryl 2-furoate

There total 12 articles about Furfuryl 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: 91.0%

furfural (98-01-1) → furfuryl 2-furoate (615-11-2)

Guidance literature:

With Rh(PhBP₃)(H)2(NCMe); hydrogen; In toluene; at 20 ℃; for 0.166667h; under 760.051 Torr;

DOI:10.1002/chem.201002921

Reference yield: 90.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) → furfuryl 2-furoate (615-11-2)

Guidance literature:

With [Rh(1,3,4,5-tetramethylimidazole-2-ylidene)(trop₂NH)][trifluoromethanesulfonate]; potassium tert-butylate; dinitrogen monoxide; In tetrahydrofuran; water; toluene; at 50 ℃; under 750.075 Torr; Schlenk technique; Molecular sieve;

DOI:10.1002/anie.201509288

Reference yield: 78.0%

2-bromomethylfuran (4437-18-7) + 2-furanoic acid (88-14-2) → furfuryl 2-furoate (615-11-2)

Guidance literature:

With IRA 904; In acetonitrile; 2.) 25 deg C, 10 h;

upstream raw materials:

furfural

(2-furyl)methyl alcohol

2-furancarbonyl chloride

2-bromomethylfuran

Refernces

• 1、 Liu, Yu,Guo, Zhiqiang,Wang, Yakong. "Sodium organoaluminate containing bidentate pyrrolyl ligand: Synthesis, structure, and catalytic activity for the Tishchenko reaction". . . Retrieved 2021/05/26.
• 2、 Liu, Heng,Khononov, Maxim,Fridman, Natalia,Tamm, Matthias,Eisen, Moris S.. "Synthesis, characterization and catalytic performances of benzimidazolin-2-iminato actinide (IV) complexes in the Tishchenko reactions for symmetrical and unsymmetrical esters". . p. 123 - 137. Retrieved 2017/10/25.