29790-29-2

Basic information

• Product Name: (E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
• Synonyms: (E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one;oxo-β-ionone,(E)-3-oxo-β-ionone;2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one;2-[(E)-3-Oxo-1-butenyl]-1,3,3-trimethyl-1-cyclohexene-6-one;4-Oxo-β-ionone
• CAS NO: 29790-29-2
• Molecular Formula: C13H18O2
• Molecular Weight: 206.28082
• EINECS: 249-851-1
• Mol File: 29790-29-2.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 323.4°Cat760mmHg
• Flash Point: 121.1°C
• Appearance: /
• Density: 1.03g/cm³
• CAS DataBase Reference: (E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one(29790-29-2)
• EPA Substance Registry System: (E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one(29790-29-2)

Safety Data

• Hazardous Substances Data: 29790-29-2(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 32, p. 1741, 1991 DOI: 10.1016/S0040-4039(00)74318-8

InChI:InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6H,7-8H2,1-4H3/b6-5+

Upstream product

• 37677-82-0 (Z)-4-oxo-β-ionone 
• 125254-39-9 methyl 3-methyl-3-(5-methylfuran-2-yl)butanoate 
• 125254-40-2 3-methyl-3-(5-methylfuran-2-yl)butanoic acid 
• 125254-41-3 3-methyl-3-(5-methylfuran-2-yl)butanoyl chloride 
• 125254-48-0 methyl 4-methyl-4-(5-methylfuran-2-yl)pentanoate 
• 125254-45-7 1-diazo-4-methyl-4-(5-methylfuran-2-yl)pentan-2-one 
• 79-77-6 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 
• 79-77-6 (E)-β-ionone 
• 56691-74-8 {[(2,6,6-trimethyl-1-cyclohexen-1-yl)methyl]sulfonyl}benzene 
• 59482-67-6 3-Benzenesulfonylmethyl-2,4,4-trimethyl-cyclohex-2-enol 
• 66408-56-8 3-(1-Benzenesulfonyl-3-hydroxy-butyl)-2,4,4-trimethyl-cyclohex-2-enol 
• 125254-37-7 dimethyl 2-<1-methyl-1-(5-methylfuran-2-yl)ethyl>propane-1,3-dioate 
• 125254-53-7 2-diazo-6-methyl-6-(5-methylfuran-2-yl)heptan-3-one 
• 125254-50-4 4-methyl-4-(5-methylfuran-2-yl)pentanoyl chloride 

Downstream Products

• 69659-83-2 4-Oxo-β-jonon-9-(aethylenacetal) 
• 80713-56-0 4-Oxo-β-jonon-4,9-bis(aethylenacetal) 
• 29790-30-5 (7E,9ε)-9-hydroxy-5,7-megastigmadien-4-one 
• 224046-67-7 (2E,4E)-2-Fluoro-3-methyl-5-(2,6,6-trimethyl-3-oxo-cyclohex-1-enyl)-penta-2,4-dienal 
• 200860-83-9 all-trans-4-keto-10F-β-ionylideneacetaldehyde 
• 200860-81-7 Acetic acid 4-((1E,3Z,5E,7E,9E,11E)-4-fluoro-3,7,12-trimethyl-13-oxo-trideca-1,3,5,7,9,11-hexaenyl)-3,5,5-trimethyl-2-oxo-cyclohex-3-enyl ester 
• 74285-60-2 (+/-)-3-Acetoxy-4-oxo-β-jonon-9-(aethylenacetal) 
• 74285-61-3 (+/-)-3-Hydroxy-4-oxo-β-jonon 
• 74311-44-7 (S)-3-Hydroxy-4-oxo-β-jonon 
• 80779-52-8 (R)-3-Hydroxy-4-oxo-β-jonon 
• 882491-37-4 (6S)-6-hydroxy-3-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-2,4,4-trimethylcyclohex-2-en-1-one 
• 74285-59-9 (E)-3,5,5-trimethyl-2-oxo-4-(3-oxobut-1-en-1-yl)cyclohex-3-en-1-yl acetate 
• 74311-42-5 (S)-3-Acetoxy-4-oxo-β-jonon 

Relevant articles and documents

Solvent-free aerobic chemoselective oxidation of β-ionone catalyzed by N-hydroxyphthalimide/Co(acac)2

β-Ionone was oxidized with O2 under solvent-free conditions catalyzed by an N-hydroxyphthalimide/Co(acac)2 system in mild conditions with high conversion and excellent selectivity to oxo-β-ionone or 5,6-epoxy-β-ionone in different reaction conditions, respectively. Copyright Taylor & Francis Group, LLC.

Method for preparing cyclic alpha, beta-unsaturated ketone

The invention provides a method for preparing cyclic alpha, beta-unsaturated ketone. According to the method, a compound shown in the formula (I) is oxidized by oxygen through electrochemical synthesis in the presence of a catalyst and an auxiliary agent to prepare a compound shown in the formula (II). The method is mild in condition, high in atom economy and less in three wastes, and the productyield is higher than 95%.

Method for efficiently preparing oxo-ionone

The invention discloses a method for efficiently preparing oxo-ionone. The method uses manganese dioxide as a catalyst, and oxo-ionone is obtained by catalytic oxidation at an allylic position of ionone. Oxo-ionone can be synthesized in high yield by the method, the operation is simple, the cost is low, and the method is green and environment-friendly.