53163-45-4

Basic information

• Product Name: [1,1,1-2H₃]-(3E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one
• Synonyms: [1,1,1-2H₃]-(3E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one
• CAS NO: 53163-45-4
• Molecular Weight: 195.277
• Mol File: 53163-45-4.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: [1,1,1-2H₃]-(3E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: [1,1,1-2H₃]-(3E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one(53163-45-4)
• EPA Substance Registry System: [1,1,1-2H₃]-(3E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-one(53163-45-4)

Safety Data

• Hazardous Substances Data: 53163-45-4(Hazardous Substances Data)

Upstream product

• 41251-37-0 methyl-d3-magnesium iodide 
• 141208-06-2 (2E)-N-methoxy-N-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenamide 
• 79-77-6 (E)-β-ionone 

Downstream Products

• 87322-07-4 C₁₅H₁₉⁽²⁾H₃O 
• 87322-08-5 C₁₈H₂₃⁽²⁾H₃O 
• 53163-48-7 <5-(2,2,6-trimethyl-1-cyclohexenyl)-3-(trideuteromethyl)-2,4-pentadienyl>triphenylphosphonium bromide 
• 87322-06-3 C₁₅H₁₉⁽²⁾H₃O 
• 77265-43-1 10-trideutero-vinyl-β-ionol 

Relevant articles and documents

Synthesis of 9-CD3-9-cis-retinal cofactor of isorhodopsin

We report the synthesis of 9-CD3-9-cis-retinal via a six-step procedure from β-ionone. The steps involve an initial deuteration of the methyl ketone of β-ionone followed by two consecutive Horner-Wadsworth-Emmons (HWE) coupling reactions and th

Efficient generation of a trisporoid library by combination of synthesis and biotransformation

(Chemical Equation Presented) Trisporic acids and their biosynthetic precursors represent a family of powerful fungal pheromones and morphogenetic factors. A highly flexible synthetic protocol is described that (i) provides rapid access to nonfunctionaliz

Preparation and photolysis of deuterium-labelled rhodopsin analogues

The compounds 18- and 19-trideutero-11-cis-retinal, > 99percent pure, with over 98percent and 99percent trideuterium incorporation were synthesized together with the corresponding all-trans derivatives.Rhodopsins were prepared from bovine opsin and 18- and 19-trideutero-11-cis-retinal, 18- and 19-trideutero-all-trans-retinal were isolated as oximes after photolysis of the corresponding rhodopsins.The oximes showed the same deuterium incorporation as the starting 18- and 19-trideutero-11-cis-retinals and as those oximes obtained by denaturation of 18- and 19-trideuterorhodopsin in the dark.These results demonstrate that during rhodopsin photolysis no detectable exchange of D or H occurs at carbon atoms 18 and 19.These facts, together with Resonance Raman data of 18-trideutero-bathorhodopsin and 5-demethylbathorhodopsin, establish that the primary step in rhodopsin photochemistry is not a phototautomerization involving the 5-CH3 group.With respect to the possibility that the primary step is a phototautomerization involving the 9-CH3 group, the situation is less clear.At this time experimental evidence of the various research disciplines is insufficiently conclusive to establish unambiguously which of the two possibilities, cis-trans photoisomerization or phototautomerization involving the 9-CH3 group, is the primary event in visual photochemistry.