343447

5-异丙基-1,3-环己二酮

99% (GC)

• 線性公式: (CH₃)₂CHC₆H₇(=O)₂
• CAS號碼: 18456-87-6
• 分子量：: 154.21
• MDL號碼: MFCD00150873
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24861163
• NACRES: NA.22

屬性

• 品質等級: 100
• 化驗: 99% (GC)
• 形狀: solid
• mp: 63-65 °C (lit.)
• 官能基: ketone
• 運輸包裝: dry ice
• SMILES 字串: [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 密鑰: JYJVWRORYGGPHA-UHFFFAOYSA-N

描述

一般說明

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.

應用

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.

安全資訊

• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: Eyeshields, Gloves, type N95 (US)