343447

5-Isopropyl-1,3-cyclohexanedione

99% (GC)

• 化学式: (CH₃)₂CHC₆H₇(=O)₂
• CAS番号: 18456-87-6
• 分子量: 154.21
• MDL番号: MFCD00150873
• UNSPSCコード: 12352100
• PubChem Substance ID: 24861163
• NACRES: NA.22

特性

• 品質水準: 100
• アッセイ: 99% (GC)
• 形状: solid
• mp: 63-65 °C (lit.)
• 輸送温度: dry ice
• SMILES記法: [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

詳細

詳細

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.

アプリケーション

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.

安全性情報

• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 3
• 引火点(°F): Not applicable
• 引火点(℃): Not applicable
• 個人用保護具 (PPE): Eyeshields, Gloves, type N95 (US)