426835-13-4

Basic information

• Product Name: [2-13C]-5-methyl-1,3-cyclohexanedione
• Synonyms: [2-13C]-5-methyl-1,3-cyclohexanedione
• CAS NO: 426835-13-4
• Molecular Weight: 127.144
• Mol File: 426835-13-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [2-13C]-5-methyl-1,3-cyclohexanedione(CAS DataBase Reference)
• NIST Chemistry Reference: [2-13C]-5-methyl-1,3-cyclohexanedione(426835-13-4)
• EPA Substance Registry System: [2-13C]-5-methyl-1,3-cyclohexanedione(426835-13-4)

Safety Data

• Hazardous Substances Data: 426835-13-4(Hazardous Substances Data)

Upstream product

• 426835-12-3 methyl [6-13C]-3-methyl-5-oxohexanoate 
• 4166-53-4 3-methylglutaric anhydride 
• 56889-46-4 3-methylglutaric acid monochloride monomethyl ester 
• 27151-65-1 3-methyl-1,5-pentanedioic acid monomethyl ester 

Relevant articles and documents

Synthesis and spectroscopic characterization of [5-13C]- and [6-13C]ubiquinone-10 for studies of bacterial photosynthetic reaction centers

This paper presents the synthesis and characterization by mass spectrometry and NMR spectroscopy of [2-13C]- and [3-13C]ubiquinone-0 and of [5-13C]- and [6-13C]ubiquinone-10. A scheme based on the synthetic approach to [5-13C]ubiquinone-10 has been worked out for the synthesis of ubiquinones 13C-labeled at any individual position and at every combination of positions in the quinone ring. The [5-13C]- and [6-13C]ubiquinone-10 isotopomers were incorporated into the QA-site of the photosynthetic reaction center of Rhodobacter sphaeroides R-26. Magic angle spinning NMR subsequently revealed an unperturbed 6-position, while the signal of the 5-position was absent. These results corroborate the recently reported detection of an asymmetric binding of QA with a dynamic perturbation involving the 4-carbonyl functionality.