28336-57-4 Usage
Uses
Used in Pharmaceutical Research:
1,3,5-TRIPHENYLCYCLOHEXANE-D5 is used as a tracer compound for studying the metabolic pathways and pharmacokinetics of related drug molecules. The deuterium labeling provides a means to differentiate the compound from its metabolites and other substances in the body, allowing for more accurate tracking and analysis.
Used in Environmental Studies:
1,3,5-TRIPHENYLCYCLOHEXANE-D5 is used as a tracking agent for monitoring the behavior and fate of the compound in various environmental conditions. The deuterium labeling enables researchers to detect and measure the presence of the compound in complex environmental samples, providing insights into its distribution, degradation, and potential impact on ecosystems.
Used in Organic Chemistry Research:
1,3,5-TRIPHENYLCYCLOHEXANE-D5 is used as a model compound for investigating the properties and reactions of cyclohexane derivatives with phenyl groups. The deuterium labeling can help in understanding the effects of isotopic substitution on the reactivity and stability of the compound, contributing to the development of new synthetic methods and applications in organic chemistry.
Check Digit Verification of cas no
The CAS Registry Mumber 28336-57-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,8,3,3 and 6 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 28336-57:
(7*2)+(6*8)+(5*3)+(4*3)+(3*6)+(2*5)+(1*7)=124
124 % 10 = 4
So 28336-57-4 is a valid CAS Registry Number.
InChI:InChI=1/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
28336-57-4Relevant academic research and scientific papers
Birch reduction of hexaphenyl- and pentaphenylbenzene and an X-ray crystallography and NMR spectroscopy study of cis- and epi-1,2,3,4,5,6- hexaphenylcyclohexane and of 2,3,5,6-tetraphenyl-1,1′-bicyclohexylidene: Cannizzaro's conundrum revisited
Grealis, John P.,Mueller-Bunz, Helge,Ortin, Yannick,Condell, Mark,Casey, Michael,McGlinchey, Michael J.
experimental part, p. 1552 - 1560 (2009/04/06)
The Birch reduction of hexaphenylbenzene yields two isomers of 1,2,3,4,5,6-hexaphenylcyclohexane. The X-ray crystal structure of the all-cis isomer, 1, reveals that the severe steric crowding among the three axial phenyls is alleviated by a marked splaying out of those three aryl substituents relative to the positioning in a conventional chair structure. A second product, 2, was identified crystallographically and by NMR spectroscopy as the 1,3-diaxial-2,4,5,6-tetraequatorial (epi) isomer of hexaphenylcyclohexane, in which only five of the six additional hydrogen atoms are positioned on the same face of the C6Ph6 precursor. A variable-temperature NMR study of the all-cis isomer 1 yielded a chair-to-chair inversion barrier of ≈ 19 kcal mol-1, which is somewhat higher than the previously reported values for all-cis-1,2,3,4,5,6-C6H6R6 in which R=Me or CO2Me. The possible relevance to Cannizzaro's 1854 report of a product with the formula (C7H6)n is discussed. By contrast, Birch reduction of pentaphenylbenzene led to the formation of 2,3,5,6-tetraphenyl-1,1′-bi-cyclohexylidene.
