2-Heptanoylfuran

Base Information

• Chemical Name: 2-Heptanoylfuran
• CAS No.: 5466-40-0
• Molecular Formula: C11H16O2
• Molecular Weight: 180.24
• Hs Code.: 2932190090
• European Community (EC) Number: 676-598-8
• NSC Number: 27363
• DSSTox Substance ID: DTXSID40282686
• Nikkaji Number: J47.706K
• Wikidata: Q63392193
• Mol file: 5466-40-0.mol

Synonyms:2-Heptanoylfuran;5466-40-0;1-(furan-2-yl)heptan-1-one;NSC27363;1-(2-furanyl)-1-heptanone;1-(2-Furyl)-1-heptanone #;SCHEMBL10353082;1-Heptanone, 1-(2-furanyl)-;DTXSID40282686;NSC-27363;AKOS012009681;Q63392193

Chemical Property of 2-Heptanoylfuran

Chemical Property:

• Vapor Pressure: 0.0114mmHg at 25°C
• Refractive Index: 1.467
• Boiling Point: 261.7 °C at 760 mmHg
• Flash Point: 114.8 °C
• PSA: 30.21000
• Density: 0.967 g/cm³
• LogP: 3.43270
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2-HEPTANOYLFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Heptanoylfuran

There total 7 articles about 2-Heptanoylfuran 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: 100.0%

furan (110-00-9) + Se-methyl heptaneselenoate (67132-63-2) → 1-(2-furyl)-1-heptanone (5466-40-0)

Guidance literature:

With copper (I) trifluoromethane sulfonate benzene; In benzene; for 0.25h; Ambient temperature;

DOI:10.1021/ja00522a079

Reference yield: 99.3%

furan (110-00-9) + boron trifluoridediethyl ether + oenanthic acid (111-14-8) + dichloroacetic anhydride (4124-30-5) → 1-(2-furyl)-1-heptanone (5466-40-0)

Guidance literature:

In toluene;

Reference yield: 91.0%

furan (110-00-9) + oenanthic acid (111-14-8) + Chloroacetic anhydride (541-88-8) → 1-(2-furyl)-1-heptanone (5466-40-0)

Guidance literature:

In toluene;

upstream raw materials:

furan

Se-methyl heptaneselenoate

(+/-)-1-(2-furyl)heptan-1-ol

1-hexene

Refernces

• 1、 Barluenga, Jose,Lopez, Salome,Trabanco, Andres A.,Fernandez-Acebes, Alvaro,Florez, Josefa. "Diastereoselective intermolecular cyclopropanation of simple alkenes by fischer alkenyl and heteroaryl carbene complexes of chromium: Scope and limitations". . p. 8145 - 8154. Retrieved 2007/10/03.
• 2、 -. "Process for producing 2-aceylfuran derivatives". . . Retrieved 2008/06/13.