2-Octanoylfuran

Base Information

• Chemical Name: 2-Octanoylfuran
• CAS No.: 5456-77-9
• Molecular Formula: C12H18O2
• Molecular Weight: 194.2701
• Hs Code.: 2932190090
• NSC Number: 21619
• UNII: 2B5EMS3J3Z
• DSSTox Substance ID: DTXSID10281424
• Nikkaji Number: J47.711G
• Wikidata: Q63398432
• Metabolomics Workbench ID: 49044
• Mol file: 5456-77-9.mol

Synonyms:2-Octanoylfuran;5456-77-9;1-(2-Furanyl)-1-octanone;1-(furan-2-yl)octan-1-one;Furan, 2-octanoyl;1-(2-Furyl)-1-octanone;2B5EMS3J3Z;1-Octanone, 1-(2-furanyl)-;NSC-21619;NSC21619;UNII-2B5EMS3J3Z;SCHEMBL4369180;DTXSID10281424;NSC 21619;AKOS010980842;Q63398432

Chemical Property of 2-Octanoylfuran

Chemical Property:

• Vapor Pressure: 0.00403mmHg at 25°C
• Boiling Point: 279.4°Cat760mmHg
• Flash Point: 123.3°C
• PSA: 30.21000
• Density: 0.957g/cm³
• LogP: 3.82280
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Octanoylfuran

There total 3 articles about 2-Octanoylfuran 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: 15.0%

trans-2-dodecen-1-al-4-one (83469-83-4) → 5-octyl-2(3H)-butenolide (83469-84-5) + 5-n-heptyl-2-furyl-ketone (5456-77-9)

Guidance literature:

In benzene; for 4h; Irradiation;

DOI:10.1016/0040-4020(82)80143-9

Reference yield:

2-octyl-furan (4179-38-8) → 5-n-heptyl-2-furyl-ketone (5456-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / PCC / CH₂Cl₂ / 9 h / Heating

2: 15 percent / benzene / 4 h / Irradiation

With pyridinium chlorochromate; In dichloromethane; benzene;

DOI:10.1016/0040-4020(82)80143-9

Reference yield:

1-bromo-octane (111-83-1) → 5-n-heptyl-2-furyl-ketone (5456-77-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) BuLi / 1.) -15 degC, 4 h; 2.) THF; 3.) room temp., 16 h

2: 56 percent / PCC / CH₂Cl₂ / 9 h / Heating

3: 15 percent / benzene / 4 h / Irradiation

With n-butyllithium; pyridinium chlorochromate; In dichloromethane; benzene;

DOI:10.1016/0040-4020(82)80143-9

upstream raw materials:

trans-2-dodecen-1-al-4-one

2-octyl-furan

1-bromo-octane