104182-98-1

Usage

Uses

Used in Pharmaceutical Synthesis:
PHENYL-D5-ACETIC ACID is used as a key intermediate in the synthesis of deuterium-labeled Diclofenac (D436450) and its metabolite 4'-Hydroxydiclofenac (H825225). These labeled compounds are essential for understanding the principal human metabolite of Diclofenac, which is crucial for drug development and optimization in the pharmaceutical industry.
Used in Research and Development:
In the field of research and development, PHENYL-D5-ACETIC ACID serves as a valuable tool for studying the effects of deuterium substitution on the pharmacokinetics, pharmacodynamics, and metabolic pathways of Diclofenac and its metabolites. This information can be vital for the development of more effective and safer drugs in the future.
Used in Drug Metabolism Studies:
PHENYL-D5-ACETIC ACID is used as a research compound to investigate the metabolic pathways of Diclofenac and its metabolites in the human body. This knowledge can help researchers understand how deuterium labeling affects the metabolism of drugs, potentially leading to improved drug design and personalized medicine approaches.
Used in Analytical Chemistry:
In analytical chemistry, PHENYL-D5-ACETIC ACID can be employed as a reference material or internal standard for the accurate quantification and identification of Diclofenac and its metabolites in various biological samples. This application is essential for ensuring the reliability and accuracy of analytical results in drug testing and quality control processes.

Upstream product

• 4165-57-5 bromobenzene-d5 
• 35845-63-7 [phenyl-2H₅]phenylethyl alcohol 
• 215527-70-1 2,3,4,5,6-pentadeuteriumbenzeneboronic acid 
• 68661-11-0 5>Benzylchlorid 

Downstream Products

• 85600-71-1 C₈H₂⁽²⁾H₇Br 
• 1217360-62-7 2-(2-iodo-3,4,5,6-⁽²⁾H₄-phenyl)acetic acid 
• 216966-11-9 phenyl-d5 acetic chloride 

Relevant academic research and scientific papers

Palladium-Catalyzed Distal C?H Selenylation of 2-Aryl Acetamides with Diselenides and Selenyl Chlorides

A convenient and effective method of palladium-catalyzed C?H selenylation of the 2-aryl acetamides assisted with removable 8-aminoquinoline with readily available diselenides and selenyl chlorides has been developed. This selenylation reaction is scalable and tolerates a wide range of functional groups, providing a straightforward way of the preparing unsymmetrical diaryl selenides and dibenzoselene-pinone. Preliminary mechanistic studies indicated that a single-electron transfer type mechanism and facile C?H metalation are operative. (Figure presented.).

Palladium-Catalyzed Enantioselective C-H Aminocarbonylation: Synthesis of Chiral Isoquinolinones

A Pd-catalyzed enantioselective C-H carbonylation by desymmetrization was developed with commercially available L-pyroglutamic acid as chiral ligand. Isoquinolinones were successfully obtained with good yields and high enantioselectivities. Mechanistic studies and DFT calculations provided a reasonable reaction pathway.

Distal Weak Coordination of Acetamides in Ruthenium(II)-Catalyzed C?H Activation Processes

C?H activations with challenging arylacetamides were accomplished by versatile ruthenium(II) biscarboxylate catalysis. The distal C?H functionalization offers ample scope—including twofold oxidative C?H functionalizations and alkyne hydroarylations—throug

EPR investigation of persistent radicals produced from the photolysis of dibenzyl ketones adsorbed on ZSM-5 zeolites

Photolysis of ketones (1, 1-oMe, 2, 2-oMe, 3, and 4) adsorbed on ZSM-5 zeolites produces persistent carbon-centered radicals that can be readily observed by conventional steady-state EPR spectroscopy. The radicals are persistent for time periods of seconds to many hours depending on the supramolecular structure of the initial radical@zeolite complex and the diffusion and reaction dynamics of radicals produced by photolysis. The structures of the persistent radicals responsible for the observed EPR spectra are determined by a combination of alternate methods of generation of the same radical, by deuterium substitution, and by spectral simulation. A clear requirement for persistence is that the radicals produced by photolysis must either separate and diffuse from the external to the internal surface or be generated within the internal surface and separate and diffuse apart. The persistence of radicals located on the internal surface is the result of inhibition of radical-radical reactions. Radicals that are produced on the external surface and whose molecular structure prevents diffusion into the internal surface are transient because radical-radical reactions occur rapidly on the external surface. The reactions of the persistent radicals with oxygen and nitric oxide were directly studied in situ by EPR analysis. In the case of reaction with oxygen, persistent peroxy radicals are formed in high yield. The addition of nitric oxide scavenges persistent radicals and leads initially to a diamagnetic nitroso compound, which is transformed into a persistent nitroxide radical by further photolysis. The influence of variation of radical structure on transience/persistence is discussed and correlated with supramolecular structure and reactivity of the radicals and their parent ketones.

ETUDE STRUCTURALE DE DERIVES DU PHENYL-ETHANE

Analysis of the methylene bending modes of phenyl ethane derivatives is consistent with the existence of trans-gauche conformational equilibria in the dissolved state.The relative amounts of each conformer have been determined and agree well with previous