343447

5-Isopropyl-1,3-cyclohexanedione

99% (GC)

• Linear Formula: (CH₃)₂CHC₆H₇(=O)₂
• CAS Number: 18456-87-6
• Molecular Weight: 154.21
• MDL number: MFCD00150873
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24861163
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 99% (GC)
• 형태: solid
• mp: 63-65 °C (lit.)
• 작용기: ketone
• 배송 상태: 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

설명

일반 설명

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.

애플리케이션

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.

안전성 정보

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: Eyeshields, Gloves, type N95 (US)