Furfuryl formate

Base Information

• Chemical Name: Furfuryl formate
• CAS No.: 13493-97-5
• Molecular Formula: C6H6O3
• Molecular Weight: 126.112
• European Community (EC) Number: 603-884-1
• UNII: 6L99DDQ762
• DSSTox Substance ID: DTXSID30878890
• Nikkaji Number: J354.646B
• Wikidata: Q27265096
• Mol file: 13493-97-5.mol

Synonyms:Furfuryl formate;13493-97-5;furan-2-ylmethyl formate;2-Furanmethanol, formate;Formic acid furfuryl ester;Furfuryl alcohol, formate;2-Furanmethanol, 2-formate;FEMA No. 4542;2-Furylmethyl formate;(furan-2-yl)methyl formate;UNII-6L99DDQ762;6L99DDQ762;Furfurylformate;Furfuryl methanoate;SCHEMBL766361;DTXSID30878890;AKOS015905321;EN300-367222;Q27265096

Chemical Property of Furfuryl formate

Chemical Property:

• Vapor Pressure: 1.44mmHg at 25°C
• Refractive Index: 1.4662
• Boiling Point: 69 - 71 °C (30 mmHg)
• Flash Point: 57℃
• PSA: 39.44000
• Density: 1.159
• LogP: 1.58850
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 126.031694049
• Heavy Atom Count: 9
• Complexity: 92.3

Purity/Quality:

Furan-2-ylmethylFormate 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=COC(=C1)COC=O

Technology Process of Furfuryl formate

There total 7 articles about Furfuryl formate 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: 95.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + formic acid (64-18-6) → furan-2-ylmethyl formate (13493-97-5)

Guidance literature:

With N,N'-dibromo-N,N'-1,2-ethanediylbis-(benzenesulfonamide); at 20 ℃; neat (no solvent);

DOI:10.1080/10426500902758337

Reference yield: 69.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + Methyl formate (107-31-3) → furan-2-ylmethyl formate (13493-97-5)

Guidance literature:

With potassium hexamethylsilazane; 1,3-bis(mesityl)imidazolium chloride; In toluene; at 45 ℃; for 16h; Inert atmosphere; Molecular sieve; Sealed tube;

DOI:10.1055/s-0036-1588449

Reference yield: 44.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + formic acid ethyl ester (109-94-4) → furan-2-ylmethyl formate (13493-97-5)

Guidance literature:

With polyvinylpolypyrrolidonium tribromide; at 20 ℃; for 0.666667h; Neat (no solvent);

DOI:10.1016/j.cclet.2011.05.020

upstream raw materials:

(2-furyl)methyl alcohol

formyl acetic anhydride

N-formylimidazole

formic acid

Downstream raw materials:

1 ,5-pentanediol

1,2-pentanediol

pentan-1-ol

Refernces

• 1、 -. "Method for preparing formate-type compound". Paragraph 0039; 0047; 0048. . Retrieved 2018/07/30.
• 2、 Mitra, Joyee,Zhou, Xiaoyuan,Rauchfuss, Thomas. "Pd/C-catalyzed reactions of HMF: Decarbonylation, hydrogenation, and hydrogenolysis". supporting information. p. 307 - 313. Retrieved 2018/04/16.