2-Hexanoylfuran

Base Information

• Chemical Name: 2-Hexanoylfuran
• CAS No.: 14360-50-0
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2932190090
• European Community (EC) Number: 238-333-0
• NSC Number: 27361
• UNII: 53176V524S
• DSSTox Substance ID: DTXSID1065760
• Nikkaji Number: J47.696J
• Wikidata: Q27261035
• Metabolomics Workbench ID: 45545
• Mol file: 14360-50-0.mol

Synonyms:2-Hexanoylfuran;14360-50-0;1-(furan-2-yl)hexan-1-one;2-Furyl pentyl ketone;1-Hexanone, 1-(2-furanyl)-;Pentyl 2-furyl ketone;1-(2-Furyl)-1-hexanone;1-(2-Furyl)hexanone;2-Furyl n-pentyl ketone;1-(2-Furanyl)-1-hexanone;Furan, 2-hexanoyl;FEMA No. 3418;N-PENTYL 2-FURYL KETONE;1-Hexanone, 1-(2-furyl)-;UNII-53176V524S;EINECS 238-333-0;NSC 27361;NSC-27361;AI3-26556;53176V524S;1-Hexanone,1-(2-furanyl)-;1-furan-2-ylhexan-1-one;2-Hexanoylfuran, AldrichCPR;SCHEMBL1531620;DTXSID1065760;Pentyl 2-furyl ketone, >=98%;NSC27361;MFCD00037354;AKOS009156432;PENTYL 2-FURYL KETONE [FHFI];AS-76289;CS-0213378;FT-0612494;J-007845;Q27261035

Chemical Property of 2-Hexanoylfuran

Chemical Property:

• Vapor Pressure: 0.0741mmHg at 25°C
• Refractive Index: 1.4890
• Boiling Point: 243.5 °C at 760 mmHg
• Flash Point: 106 °C
• PSA: 30.21000
• Density: 0.979 g/cm³
• LogP: 3.04260
• Solubility.: Difficult to mix.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

2-Hexanoylfuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)C1=CC=CO1
• Uses: 2-Hexanoylfuran is used as a food additives

Technology Process of 2-Hexanoylfuran

There total 12 articles about 2-Hexanoylfuran 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: 92.0%

furan (110-00-9) + hexanoic acid (142-62-1) → 1-(furan-2-yl)hexan-1-one (14360-50-0)

Guidance literature:

With trifluoroacetic anhydride; Duolite ES 467 H⁺ phosphonic resin; In nitromethane; at 25 ℃; for 0.5h;

Reference yield: 84.0%

fur-2-ylboronic acid (13331-23-2) + n-hexanoic anhydride (2051-49-2) → 1-(furan-2-yl)hexan-1-one (14360-50-0) + hexanoic acid (142-62-1)

Guidance literature:

With P(p-CH₃OC₆H₄)3; palladium diacetate; In tetrahydrofuran; water; at 60 ℃; for 16h;

DOI:10.1002/1099-0690(200210)2002:19<3254::AID-EJOC3254>3.0.CO;2-6

Reference yield: 84.0%

fur-2-ylboronic acid (13331-23-2) + n-hexanoic anhydride (2051-49-2) → 1-(furan-2-yl)hexan-1-one (14360-50-0)

Guidance literature:

With palladium diacetate; P(p-CH₃OC₆H₄)3; at 60 ℃; for 16h;

DOI:10.1002/1521-3773(20010917)40:18<3458::AID-ANIE3458>3.0.CO;2-0

upstream raw materials:

furan

Hexanoyl chloride

2-furancarbonitrile

n-pentylmagnesium bromide

Refernces

• 1、 Ma, Yuzhi,O'Doherty, George A.. "De Novo Asymmetric Synthesis of (+)-Monanchorin". . p. 5280 - 5283. Retrieved 2015.
• 2、 -. "Method of making 2-furylalkylketones". Page/Page column 4-5. . Retrieved 2010/11/25.