5-Methyl-2-acetylfuran

Base Information

• Chemical Name: 5-Methyl-2-acetylfuran
• CAS No.: 1193-79-9
• Molecular Formula: C7H8O2
• Molecular Weight: 124.139
• Hs Code.: 29321900
• European Community (EC) Number: 214-779-1
• NSC Number: 80404
• UNII: IY49408H2O
• DSSTox Substance ID: DTXSID70152409
• Nikkaji Number: J40.148J
• Wikipedia: 2-Acetyl-5-methylfuran
• Wikidata: Q18347448
• Metabolomics Workbench ID: 46878
• ChEMBL ID: CHEMBL455506
• Mol file: 1193-79-9.mol

Synonyms:Ketone,methyl 5-methyl-2-furyl (6CI,7CI,8CI);1-(5-Methylfuran-2-yl)ethanone;2-Acetyl-5-methylfuran;2-Methyl-5-acetylfuran;5-Acetyl-2-methylfuran;5-Methyl-2-furylethanone;NSC 80404;

Chemical Property of 5-Methyl-2-acetylfuran

Chemical Property:

• Appearance/Colour: Colorless to light yellow liqui
• Vapor Pressure: 0.301mmHg at 25°C
• Melting Point: 2 °C
• Refractive Index: n20/D 1.512(lit.)
• Boiling Point: 201.9 °C at 760 mmHg
• Flash Point: 80 °C
• PSA: 30.21000
• Density: 1.06 g/cm³
• LogP: 1.79060
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water. Soluble in alcohol.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.052429494
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

2-Acetyl-5-methylfuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C(=O)C
• Description: A light yellow liquid with strong, nutty aroma.
• Uses: Glucose was transformed to various furan compounds and carboxylic acids derivatives by heat treatment of autoclave such as levulinic acid, 2-acetylfuran and 2-acetyl-5-methylfuran. using 2-acetyl-5-methylfuran or 1,5-dimethyl-2-pyrrolecarbonitrile as reactants, that the formation of the 4-arylation products. Reaction of 2-acetyl-5-methylfuran 6a with 2-aminoethanol pioduced in 79% yield the aminal.

Technology Process of 5-Methyl-2-acetylfuran

There total 17 articles about 5-Methyl-2-acetylfuran 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: 95.0%

2-methyl-5-<1-(trimethylsiloxy)vinyl>furan (83796-14-9) → 2-acetyl-5-methylfuran (1193-79-9) + Hexamethyldisiloxane (107-46-0)

Guidance literature:

With sulfuric acid; at 50 ℃; for 0.5h;

Reference yield: 91.0%

2-methylfuran (534-22-5) + acetic anhydride (108-24-7) → 2-acetyl-5-methylfuran (1193-79-9)

Guidance literature:

With HBEA; In 1,2-dichloro-ethane; at 50 ℃; for 2h; under 760.051 Torr; Reagent/catalyst; Temperature;

Reference yield: 85.0%

methanol (67-56-1) + 2-methyl-5-<1-(trimethylsiloxy)vinyl>furan (83796-14-9) → 2-acetyl-5-methylfuran (1193-79-9) + Trimethylmethoxysilane (1825-61-2)

Guidance literature:

With sulfuric acid; at 20 ℃; for 0.5h;

upstream raw materials:

2-methylfuran

acetic anhydride

acetic acid

methanol

Downstream raw materials:

Methyl-<5-methyl-<2>furyl>-keton-semicarbazon

1-(5-methyl-[2]furyl)-ethanone-(2,4-dinitro-phenylhydrazone)

2-ethyl-5-methylfuran

n-pentyl methyl ketone

Refernces

• 1、 Harikrishna,Isloor, Arun M.,Ananda,Obaid, Abdulrahman,Fun, Hoong-Kun. "Synthesis, and antitubercular and antimicrobial activity of 1′-(4-chlorophenyl)pyrazole containing 3,5-disubstituted pyrazoline derivatives". . p. 73 - 76. Retrieved 2016.
• 2、 Liang, Fengying,Eda, Kazuo,Okazoe, Takashi,Wada, Akihiro,Mori, Nobuaki,Konishi, Katsuhiko,Tsuda, Akihiko. "Photo-on-Demand Synthesis of Vilsmeier Reagents with Chloroform and Their Applications to One-Pot Organic Syntheses". . p. 6504 - 6517. Retrieved 2021/05/06.
• 3、 -. "Method for producing furandicarboxylic acid and derivatives thereof from furfural". Paragraph 0034; 0039-0042; 0053; 0058-0061. . Retrieved 2020/06/05.