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质量水平
检测方案
99% (GC)
形式
solid
mp
63-65 °C (lit.)
运输
dry ice
SMILES字符串
[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 key
JYJVWRORYGGPHA-UHFFFAOYSA-N
一般描述
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.
应用
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.
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Gloves, type N95 (US)
Microwave-Assisted Solvent and Catalyst Free Synthesis of 2H-Pyrans.
Bull. Korean Chem. Soc., 34(10), 2963-2963 (2013)
Monocyclic Terpenes from Cyclic 1, 3-Diketones1.
Journal of the American Chemical Society, 72(4), 1645-1648 (1950)
A Multistep Synthesis Featuring Classic Carbonyl Chemistry for the Advanced Organic Chemistry Laboratory.
Journal of Chemical Education, 89(3), 406-408 (2011)
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