94669-81-5

Basic information

• Product Name: 2-Cyclohexen-1-one, 6-hydroxy-3-[(1E,3E)-5-hydroxy-3-methyl-1,3-pentadienyl]-2,4,4-trimeth yl-
• CAS NO: 94669-81-5
• Molecular Formula: C15H22O3
• Molecular Weight: 250.338
• Mol File: 94669-81-5.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 2-Cyclohexen-1-one, 6-hydroxy-3-[(1E,3E)-5-hydroxy-3-methyl-1,3-pentadienyl]-2,4,4-trimeth yl-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Cyclohexen-1-one, 6-hydroxy-3-[(1E,3E)-5-hydroxy-3-methyl-1,3-pentadienyl]-2,4,4-trimeth yl-(94669-81-5)
• EPA Substance Registry System: 2-Cyclohexen-1-one, 6-hydroxy-3-[(1E,3E)-5-hydroxy-3-methyl-1,3-pentadienyl]-2,4,4-trimeth yl-(94669-81-5)

Safety Data

• Hazardous Substances Data: 94669-81-5(Hazardous Substances Data)

Upstream product

• 29538-78-1 (2E,4E)-3-methyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2,4-pentadienol 
• 110-93-0 6-Methyl-hept-5-en-2-on 
• 5146-66-7 geranonitrile 
• 23089-87-4 5-methyl-4-hexenenitrile 
• 80713-62-8 5-(1-methoxy-1-methylethoxy)-3-methyl-3E-penten-1-yne 
• 83020-74-0 (7AS)-7,7a-dihydro-2,2,4,6,6-pentamethyl-1,3-benzodioxol-5-(6H)-one 
• 6153-06-6 (E)-3-methylpent-2-en-4-yn-1-ol 
• 264279-25-6 ethyl (2E,4E)-3-methyl-5-(2,10,10-trimethyl-4,7-dioxaspiro[4,5]dec-1-en-1-yl)-2,4-pentadienoate 
• 264279-27-8 (2E,4E)-3-methyl-5-(2,10,10-trimethyl-4,7-dioxaspiro[4,5]dec-1-en-1-yl)-2,4-pentadienol 
• 264279-22-3 2,10,10-trimethyl-4,7-oxadispiro[4,5]dec-1-enecarbonitrile 
• 264279-23-4 2,10,10-trimethyl-4,7-dioxaspiro[4,5]dec-1-enecarbaldehyde 
• 264279-20-1 2,3-epoxy-2,6,6-trimethyl-1-cyclohexanecarbonitrile 
• 145106-79-2 3-hydroxy-2,6,6-trimethylcyclohex-1-enecarbonitrile 
• 56830-39-8 2,4,4-Trimethylcyclohex-2-en-1-one-3-carbonitrile 

Downstream Products

• 7542-45-2 3,3'-dihydroxy-β,β-carotene-4,4'-dione 
• 80736-89-6 (2E,4E)-1-bromo-3-methyl-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2,4-pentadiene 

Relevant articles and documents

Synthesis and characterization of all-E-(4,4'-13C2)-astaxanthin strategies for labelling the C15-end groups of carotenoids

The all-E isomer of (4,4'-13C2)astaxanthin (1a) has been prepared by total synthesis starting from commercially available 99% 13C enriched acetonitrile. The labelled astaxanthin was obtained in high purity and with high isotope incorporation. For this synthesis, the C15 + C10 + C15 strategy was used. The central C10-synthon, 2,7-dimethylocta-2,4,6-triene- 1,8-dial (3), was coupled with 13C-enriched C15-phosphonium salt 2a. The new synthetic scheme for the preparation of the C15-phosphonium salt is discussed in this paper; the same scheme can be used to label all positions and combinations of positions of the C15-phosphonium salt.

Technische Verfahren zur Synthese von Carotinoiden und verwandten Verbindungen aus 6-Oxo-isophoron. II. Ein neues Konzept fuer die Synthese von (3RS,3'RS)-Astaxanthin

Starting from 6-oxo-isophorone (2) a new concept for a seven-step synthesis of (3RS,3'RS)-astaxanthin (1) has been developed.As a key feature of the new approach, the oxidation state of astaxanthin (1) is adjusted already at an early stage of the synthesis.Thus, manipulation on more complex intermediates later in the synthesis is reduced to a minimum.Acetonide 10 or dimer 13 represent the key intermediates of this concept (Scheme 2).The whole sequence has been run on a kg scale with an overall yield of 52percent (s.Scheme 5).