69824-91-5

Basic information

• Product Name: Cyclohexanone, 3-propyl-
• CAS NO: 69824-91-5
• Molecular Formula: C9H16O
• Molecular Weight: 140.225
• Mol File: 69824-91-5.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Cyclohexanone, 3-propyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexanone, 3-propyl-(69824-91-5)
• EPA Substance Registry System: Cyclohexanone, 3-propyl-(69824-91-5)

Safety Data

• Hazardous Substances Data: 69824-91-5(Hazardous Substances Data)

Upstream product

• 63050-85-1 (+)-3-(3-Brompropyl)-cyclohexanon 
• 20498-05-9 3-allylcyclohexanone 
• 930-68-7 cyclohexenone 
• 23074-59-1 3-isobutoxycyclohex-2-en-1-one 
• 6328-24-1 3-propyl-2-cyclohexen-1-one 
• 10557-57-0 propylmagnesium iodide 
• 107-08-4 1-iodo-propane 
• 106-94-5 propyl bromide 
• 134654-92-5 3-(3-Iodopropyl)cyclohexan-1-one 
• 2417-93-8 propyllithium 
• 110-91-8 morpholine 
• 540-54-5 1-Chloropropane 
• 927-77-5 n-propylmagnesium bromide 

Downstream Products

• 1252759-79-7 C₂₆H₃₆N₂O 
• 73959-35-0 (R)-(+)-3-Propylcyclohexanone 

Relevant articles and documents

Assessing the Substrate Selectivities and Enantioselectivities of Eight Novel Baeyer-Villiger Monooxygenases toward Alkyl-Substituted Cyclohexanones

Genes encoding eight Baeyer-Villiger monooxygenases have recently been cloned from bacteria inhabiting a wastewater treatment plant. We have carried out a systematic investigation in which each newly cloned enzyme, as well as the cyclohexanone monooxygenase from Acinetobacter sp. NCIB 9871, was used to oxidize 15 different alkyl-substituted cyclohexanones. The panel of substrates included equal numbers of 2-, 3-, and 4-alkyl-substituted compounds to probe each enzyme's stereoselectivity toward a homologous series of synthetically important compounds. For all 4-alkyl-substituted cyclohexanones tested, enzymes were discovered that afforded each of the corresponding (S)-lactones in ≥98% ee. This was also true for the 2-alkyl-substituted cyclohexanones examined. The situation was more complex for 3-akyl-substituted cyclohexanones. In a few cases, single Baeyer-Villiger monooxygenases possessed both high regio- and enantioselectivities toward these compounds. More commonly, however, they showed only one type of selectivity. Nonetheless, enzymes with such properties might be useful as parts of a two-step bioprocess where an initial kinetic resolution is followed by a regioselective oxidation on the isolated, optically pure ketone.

Synthesis and structure-affinity relationships of 1,3,5-alkylsubstituted cyclohexylamines binding at NMDA receptor PCP site

A series of 1,3,5-alkylsubstituted cyclohexylamines 2 were synthesized as ligands for the N-methyl-D-aspartate (NMDA) receptor phencyclidine (PCP) binding site. Pure diastereomers with defined configuration of amino group 2- ax and 2-eq were obtained. The optimal size of 1,3,5-substituents was determined for cyclohexylamines 2 with an equatorial amino group in the lowest energy conformation using Hansch analysis. According to the data, the lipophilic part of cyclohexylamines 2 does not discriminate between hydrophobic regions of the PCP binding site but rather recognizes this site as a whole lipophilic pocket. (C) 2000 Editions scientifiques et medicales Elsevier SAS.