2-Acetyl-5-methylfuran

• CAS: 1193-79-9
• Catalog Number: ACM1193799
• Category: Furans
• Molecular Weight: 124.14
• Molecular Formula: C7H8O2
• Synonyms: 5-Methyl-2-acetylfuran
• IUPAC Name: 1-(5-Methylfuran-2-yl)ethanone
• Canonical SMILES: CC1=CC=C(O1)C(=O)C
• InChI: InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
• InChI Key: KEFJLCGVTHRGAH-UHFFFAOYSA-N
• Boiling Point: 100-101 °C
• Melting Point: 2 °C
• Flash Point: 176 °F
• Density: 1.066 g/mL at 25 °C(lit.)
• Solubility: Slightly soluble in water; soluble in alcohol
• Exact Mass: 124.052429494
• Monoisotopic Mass: 124.052429494
• Odor: Strong, nutty, hay-coumarin odor
• Physical State: Liquid
• Refractive Index: n20/D 1.512(lit.)
• Storage Conditions: Inert atmosphere,Room Temperature
• Topological Polar Surface Area: 30.2 Ų

Synthetic Use

Upstream Synthesis Route 1

• 534-22-5
• 108-24-7

• 1193-79-9

Reference: [1] Research on Chemical Intermediates, 2017, vol. 43, # 3, p. 1557 - 1574

Upstream Synthesis Route 2

• 814-68-6

• 1193-79-9

Reference: [1] Tetrahedron, 2014, vol. 70, # 8, p. 1659 - 1690

Upstream Synthesis Route 3

• 83796-14-9

• 1193-79-9
• 107-46-0

Reference: [1] J. Gen. Chem. USSR (Engl. Transl.), 1982, vol. 52, # 8, p. 1651 - 1653[2] Zhurnal Obshchei Khimii, 1982, vol. 52, # 8, p. 1862 - 1865

Upstream Synthesis Route 4

• 534-22-5
• 108-24-7

• 1193-79-9

Reference: [1]Research on Chemical Intermediates,2017,vol. 43,p. 1557 - 1574

Downstream Synthesis Route 1

• 1193-79-9

• 1703-52-2

Reference: [1]ChemSusChem,2017,vol. 10,p. 91 - 98
[2]Journal of the Chemical Society. Perkin transactions II,1989,p. 1981 - 1986
[3]Zhurnal Obshchei Khimii,1938,vol. 8,p. 674,676
Chemisches Zentralblatt,1939,vol. 110,p. 1743

Downstream Synthesis Route 2

• 1193-79-9

• 1122-43-6

Reference: [1]Chemical and Pharmaceutical Bulletin,1991,vol. 39,p. 181 - 183
[2]Patent: US2636882,1953,

* For details of the synthesis route, please refer to the original source to ensure accuracy.