Furfural acetone

Base Information

• Chemical Name: Furfural acetone
• CAS No.: 623-15-4
• Deprecated CAS: 71496-26-9
• Molecular Formula: C8H8 O2
• Molecular Weight: 136.15
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID2025345
• ChEMBL ID: CHEMBL3185513
• Mol file: 623-15-4.mol

Synonyms:Furfural acetone;3-Buten-2-one, 4-(furanyl)-;FURFURALACETONE;Furfuryl acetone;furfurylidene acetone;2-Furfurylideneacetone;DTXSID2025345;furfurylidenacetone;3-Buten-2-one, 4-(2-furyl)- (6CI,8CI);CHEMBL3185513;4-(2-furyl)-3-buten -2-one;AKOS028108627;LS-1494;FT-0616535;D90647

Chemical Property of Furfural acetone

Chemical Property:

• Appearance/Colour: reddish crystalline powder
• Vapor Pressure: 0.0786mmHg at 25°C
• Melting Point: 34-41 °C(lit.)
• Refractive Index: n20/D 1.565(lit.)
• Boiling Point: 112-115°C 10mm
• Flash Point: 220 °F
• PSA: 30.21000
• Density: 1.073g/cm³
• LogP: 1.88180
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.052429494
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Furyl)-3-buten-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CC1=CC=CO1
• Uses: 4-(2-Furyl)-3-buten-2-one, can be used in technical or engineered material industyr. It has shown to have the durability need in composites.

Technology Process of Furfural acetone

There total 61 articles about Furfural acetone 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: 98.0%

furfural (98-01-1) + acetone (67-64-1) → (E)-4-(furan-2-yl)but-3-en-2-one (623-15-4)

Guidance literature:

With sodium hydroxide; In water; at 40 ℃; for 1h;

DOI:10.1016/j.tet.2009.05.050

Reference yield: 97.0%

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + 1-triphenylphosphoranylidene-2-propanone (1439-36-7) → (E)-4-(furan-2-yl)but-3-en-2-one (623-15-4)

Guidance literature:

With dipyridinium dichromate; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1080/00397911.2013.862725

Reference yield: 90.0%

3-(2-furyl)-1-methylallyl alcohol (79380-04-4,1141893-14-2) → (E)-4-(furan-2-yl)but-3-en-2-one (623-15-4)

Guidance literature:

With bis(cyclopentadienyl)dihydrozirconium; benzaldehyde; In toluene; for 8h; Heating;

DOI:10.1021/jo00231a006

upstream raw materials:

furfural

acetone

(2-furyl)methyl alcohol

furan

Downstream raw materials:

1-(α-furyl)-5-phenylpenta-1,4-dien-3-one

4-furan-2-yl-but-3-en-2-one phenylhydrazone

2-butanyltetrahydrofuran

4-tetrahydrofuran-2-yl-butan-2-ol

Refernces

• 1、 Qi, Yanlong,Liu, Shijun,Cui, Long,Dai, Quanquan,He, Jianyun,Dong, Wei,Bai, Chenxi. "Production of a renewable 1,3-diene containing a functional group from a furfural-acetone adduct in a fixed-bed reactor". . p. 3911 - 3919. Retrieved 2019.
• 2、 Huang, Liangbin,Jiang, Huanfeng,Lin, Haojiang,Liu, Jiechun. "Polysubstituted Indole Synthesis via Palladium/Norbornene Cooperative Catalysis of Oxime Esters". supporting information. . Retrieved 2022/01/20.
• 3、 Boylan, Amy,Li, Jian-Yuan,Lundy, Brian J.,May, Jeremy A.,Nguyen, Thien S.,Sundstrom, Sasha,Vallakati, Ravikrishna. "Rate dependence on inductive and resonance effects for the organocatalyzed enantioselective conjugate addition of alkenyl and alkynyl boronic acids to β-indolyl enones and β-pyrrolyl enones". . . Retrieved 2021/06/16.