4-(2-furyl)-2-butanon

Base Information

• Chemical Name: 4-(2-furyl)-2-butanon
• CAS No.: 699-17-2
• Molecular Formula: C8H10 O2
• Molecular Weight: 138.166
• Hs Code.: 2932190090
• European Community (EC) Number: 211-831-5
• UNII: K3634NE7KS
• DSSTox Substance ID: DTXSID2052443
• Nikkaji Number: J42.070K
• Wikidata: Q27281884
• Metabolomics Workbench ID: 45399
• Mol file: 699-17-2.mol

Synonyms:2-Butanone,4-(2-furyl)- (6CI,7CI,8CI); 1-(2-Furanyl)-3-butanone; 1-(2-Furyl)-3-butanone;4-(2-Furyl)-2-butanone; Furfurylacetone

Chemical Property of 4-(2-furyl)-2-butanon

Chemical Property:

• Vapor Pressure: 0.284mmHg at 25°C
• Refractive Index: 1.4696 (estimate)
• Boiling Point: 203°C at 760 mmHg
• Flash Point: 77°C
• PSA: 30.21000
• Density: 1.022g/cm³
• LogP: 1.80120
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Furyl)butan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1=CC=CO1

Technology Process of 4-(2-furyl)-2-butanon

There total 42 articles about 4-(2-furyl)-2-butanon 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: 93.0%

4-(furan-2-yl)but-3-en-2-one (623-15-4) → 4-(furan-2-yl)butan-2-one (699-17-2)

Guidance literature:

With magnesium; In tetrahydrofuran; methanol;

DOI:10.1039/c2cy20395b

Reference yield: 92.0%

furan (110-00-9) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-(furan-2-yl)butan-2-one (699-17-2)

Guidance literature:

Reference yield: 86.0%

4-chlorophenyl acetate (876-27-7) + 3-(2-furyl)-1-methylallyl alcohol (79380-04-4,1141893-14-2) → 4-(furan-2-yl)butan-2-one (699-17-2) + (E)-4-(furan-2-yl)but-3-en-2-one (623-15-4) + (R,E)-4-(2-furyl)-3-buten-2-yl acetate

Guidance literature:

With RuCl₃H(p-cymene)2; immobilized lipase from Pseudomonas cepacia; triethylamine; In dichloromethane; at 20 - 25 ℃; for 48h; Enzymatic reaction;

DOI:10.1021/ol006159y

upstream raw materials:

furan

methyl vinyl ketone

4-(furan-2-yl)but-3-en-2-one

trans-3-methoxybut-2-en-1-ol

Downstream raw materials:

(2S,3R,6S)-6-[2-(tert-butyldiphenylsilyloxy)ethyl]-2-[2-(furan-2-yl)ethyl]-2-methyltetrahydro-2H-pyran-3-ol

1-(3-methoxy-4-hydroxyphenyl)-5-(2-furyl)-1-pentene-3-one

1-(3-Methoxy-4-hydroxyphenyl)-5-(2-furyl)-1-penten3-one

4-(furan-2-yl)butan-2-amine

Refernces

• 1、 Ding, Yuxiao,Huang, Xing,Yi, Xianfeng,Qiao, Yunxiang,Sun, Xiaoyan,Zheng, Anmin,Su, Dang Sheng. "A Heterogeneous Metal-Free Catalyst for Hydrogenation: Lewis Acid–Base Pairs Integrated into a Carbon Lattice". supporting information. p. 13800 - 13804. Retrieved 2018/10/20.
• 2、 Ramos, Rubén,Ti?ler, Zdeněk,Kikhtyanin, Oleg,Kubi?ka, David. "Solvent effects in hydrodeoxygenation of furfural-acetone aldol condensation products over Pt/TiO2 catalyst". . p. 174 - 183. Retrieved 2016/12/06.