343447

5-Isopropyl-1,3-cyclohexandion

99% (GC)

• Lineare Formel: (CH₃)₂CHC₆H₇(=O)₂
• CAS-Nummer: 18456-87-6
• Molekulargewicht: 154.21
• MDL-Nummer: MFCD00150873
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24861163
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 99% (GC)
• Form: solid
• mp (Schmelzpunkt): 63-65 °C (lit.)
• Versandbedingung: dry ice
• SMILES String: [H]O[H].CC(C)C1CC(=O)CC(=O)C1
• InChI: 1S/C9H14O2.H2O/c1-6(2)7-3-8(10)5-9(11)4-7;/h6-7H,3-5H2,1-2H3;1H2
• InChIKey: JYJVWRORYGGPHA-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

5-Isopropyl-1,3-cyclohexanedione is a cyclic 1,3-diketone. It can be prepared by condensation of isobutylideneacetone with ethyl malonate. 5-Isopropyl-1,3-cyclohexanedione on methylation with methyl iodide yields 5-isopropyl-2-methyl-1,3-cyclohexanedione. A multistep-synthesis of 5-isopropyl-1,3-cyclohexanedione involving aldol condensation, Dieckmann-type annulation, ester hydrolysis and decarboxylation is reported.

Anwendung

5-Isopropyl-1,3-cyclohexanedione may be used as starting reagent for the synthesis of carvotanacetone analogs. It may be used in the preparation of monocyclic terepenes. It may be used in the synthesis of 2H-pyrans, via reaction with α,β-unsaturated aldehydes.

Sicherheitshinweise

• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: Eyeshields, Gloves, type N95 (US)