343447

5-Isopropyl-1,3-cyclohexanedione

99% (GC)

• Wzór liniowy: (CH₃)₂CHC₆H₇(=O)₂
• Numer CAS: 18456-87-6
• Masa cząsteczkowa: 154.21
• NACRES: NA.22
• PubChem Substance ID: 24861163
• UNSPSC Code: 12352100
• MDL number: MFCD00150873
• Assay: 99% (GC)
• Form: solid

Właściwości

• Quality Segment: 100
• assay: 99% (GC)
• form: solid
• mp: 63-65 °C (lit.)
• functional group: ketone
• shipped in: 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
• InChI key: JYJVWRORYGGPHA-UHFFFAOYSA-N

Opis

General description

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.

Application

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.

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Informacja o środkach bezpieczeństwa

• Klasa składowania: 11 - Combustible Solids
• Co się dzieje?: WGK 3
• Temperatura zapłonu (°F): Not applicable
• Temperatura zapłonu (°C): Not applicable
• PPE (środki ochrony indywidualnej): Eyeshields, Gloves, type N95 (US)