343447
5-异丙基-1,3-环己二酮
99% (GC)
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关于此项目
线性分子式:
(CH3)2CHC6H7(=O)2
化学文摘社编号:
分子量:
154.21
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99% (GC)
Form:
solid
Quality Segment
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
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.
存储类别
11 - Combustible Solids
怎么回事？
WGK 3
闪点 (F)
Not applicable
闪点 (°C)
Not applicable
PPE（个人防护设备）
Eyeshields, Gloves, type N95 (US)