5-ISOPROPYL-1,3-CYCLOHEXANEDIONE

5-ISOPROPYL-1,3-CYCLOHEXANEDIONE
  • CAS No.:18456-87-6

Important Notice

  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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5-ISOPROPYL-1,3-CYCLOHEXANEDIONE Basic information
Product Name:5-ISOPROPYL-1,3-CYCLOHEXANEDIONE
Synonyms:5-ISOPROPYL-1,3-CYCLOHEXANEDIONE;5-(ISOPROPYL)CYCLOHEXANE-1,3-DIONE;5-Isopropyl-1,3-cyclohexanedione hydrate, 99%;5-(1-Methylethyl)-1,3-cyclohexanedione;1,3-Cyclohexanedione, 5-(1-methylethyl)-;5-propan-2-ylcyclohexane-1,3-dione
CAS:18456-87-6
MF:C9H14O2
MW:154.21
EINECS:
Product Categories:C9;Carbonyl Compounds;Ketones
Mol File:18456-87-6.mol
5-ISOPROPYL-1,3-CYCLOHEXANEDIONE Chemical Properties
Melting point 63-65 °C (lit.)
CAS DataBase Reference18456-87-6
Safety Information
Hazard Codes Xi
Risk Statements 43
Safety Statements 36/37
WGK Germany 3
HS Code 2914290090
MSDS Information
5-ISOPROPYL-1,3-CYCLOHEXANEDIONE Usage And Synthesis
Uses5-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.
Synthesis Reference(s)Journal of the American Chemical Society, 72, p. 1645, 1950 DOI: 10.1021/ja01160a060
General Description5-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.
5-ISOPROPYL-1,3-CYCLOHEXANEDIONE Preparation Products And Raw materials

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