80441-87-8

Usage

Uses

Phenol-2,4,6-d3,OD (CAS# 80441-87-8) is a useful isotopically labeled research compound.

Upstream product

• 108-95-2 phenol 
• 4165-62-2 phenol-d5 
• 1076-43-3 benzene-d6 
• 4165-57-5 bromobenzene-d5 

Downstream Products

• 159753-89-6 C₁₆H₁₅⁽²⁾H₂NO₃ 
• 159753-90-9 C₁₆H₁₃⁽²⁾H₄NO₃ 
• 22705-26-6 pentadeuterophenylacetate 
• 101943-83-3 (((C₃H₇)2PCH₂CH₂P(C₃H₇)2)Rh)2(OC₆⁽²⁾H₅)(H) 

Relevant academic research and scientific papers

DEUTERATED CFTR POTENTIATORS

The present invention relates to a compound of chemical formula I and pharmaceutically acceptable salts thereof. The present invention also provides a composition comprising the compound in the present invention and the use of the composition in a method for treatment of diseases and conditions which are beneficially treated by administering a CFTR potentiator.

Mechanistic Insights into Rhenium-Catalyzed Regioselective C-Alkenylation of Phenols with Internal Alkynes

A (μ-aryloxo)rhenium complex was isolated and confirmed as a key precatalyst for rhenium-catalyzed ortho-alkenylation (C-alkenylation) of unprotected phenols with alkynes. The reaction exclusively provided ortho-alkenylphenols; the formation of para or multiply alkenylated phenols and hydrophenoxylation (O-alkenylation) products was not observed. Several mechanistic experiments excluded a classical Friedel–Crafts-type mechanism, leading to the proposed phenolic hydroxyl group assisted electrophilic alkenylation as the most plausible reaction mechanism. For this purpose, the use of rhenium, a metal between the early and late transition metals in the periodic table, was key for the activation of both the soft carbon–carbon triple bond of the alkyne and the hard oxygen atom of the phenol, at the same time. ortho-Selective alkenylation with allenes also provided the corresponding adducts with a substitution pattern different from that obtained by the addition reaction with alkynes.

Deuterated CFTR squalene

The invention relates to a compound shown in a formula I and pharmaceutically acceptable salts thereof. The invention further provides a composition comprising the compound and use of the composition in a treatment method of beneficially treating diseases and symptoms by using a CFTR (Cystic Fibrosis Transmembrane Regulator) synergist.

DEUTERATED CFTR POTENTIATOR

PROBLEM TO BE SOLVED: To provide compositions comprising novel ivacaftor derivatives and pharmaceutically acceptable salts thereof for treating diseases and conditions that are beneficially treated by administering a CFTR (cystic fibrosis transmembrane co

Steric Effect of Carboxylate Ligands on Pd-Catalyzed Intramolecular C(sp2)–H and C(sp3)–H Arylation Reactions

A bulky carboxylic acid bearing three cyclohexylmethyl substituents at the α-position, namely, tri(cyclohexylmethyl)acetic acid, is demonstrated to act as an efficient ligand source in Pd-catalyzed intramolecular C(sp2)?H and C(sp3)?H arylation reactions. The reactions proceed smoothly under mild reaction conditions, even at room temperature due to the steric bulk of the carboxylate ligands, which accelerates the rate-determining C?H bond activation step in the catalytic cycle.

In deuterated substance for enhancing CFTR (by machine translation)

PROBLEM TO BE SOLVED: To provide a novel ivacaftor derivative and a pharmaceutically acceptable salt thereof.SOLUTION: There is provided a deuterium-modified compound represented by the formula I.

DEUTERATED CFTR ENHANCEMENT MATERIAL

PROBLEM TO BE SOLVED: To provide a compound to treat cystic fibrosis. SOLUTION: The present invention provides a pharmaceutical composition comprising a compound represented by formula I, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier thereof [X1-X7 independently represent H or D; Y1-Y6 independently represent CH3 or CD3; if all of Y1-Y6 are CH3, at least one of X1-X7 is D]. SELECTED DRAWING: None COPYRIGHT: (C)2017,JPOandINPIT

Photocatalytic Hydrogen-Evolution Cross-Couplings: Benzene C-H Amination and Hydroxylation

We present a blueprint for aromatic C-H functionalization via a combination of photocatalysis and cobalt catalysis and describe the utility of this strategy for benzene amination and hydroxylation. Without any sacrificial oxidant, we could use the dual catalyst system to produce aniline directly from benzene and ammonia, and phenol from benzene and water, both with evolution of hydrogen gas under unusually mild conditions in excellent yields and selectivities.

Platinum catalyzed H-D exchange reaction of various aromatic compounds under hydrothermal condition

Various aromatic compounds were treated with deuterium oxide under hydrothermal conditions in the presence of a catalytic amount of platinum (IV) oxide. An efficient H-D exchange reaction was observed, which gave various deterium labeled aromatic compounds.

Stoichiometric and catalytic H/D incorporation by cationic iridium complexes: A common monohydrido-iridium intermediate

A mechanistic study of the Stoichiometric and catalytic H/D exchange reactions involving cationic iridium complexes is presented. Strong evidence suggests that both Stoichiometric and catalytic reactions proceed via a monohydrido-iridium species. Stoichiometric deuterium incorporation reactions introduce multiple deuterium atoms into the organic products when aryliridium compounds Cp*PMe3Ir(C6H4X)(OTf) (X = H, o-CH3, m-CH3, p-CH3) react with D2. Multiple deuteration occurs at the unhindered positions (para and meta) of toluene, when X = CH3. The multiple-deuteration pathway is suppressed in the presence of an excess of the coordinating ligand, CH3CN. The compound Cp*PMe3IrH(OTf) (1-OTf) is observed in low-temperature, Stoichiometric experiments to support a monohydrido-iridium intermediate that is responsible for catalyzing multiple deuteration in the stoichiometric system. When paired with acetone-d6, [Cp*PMe3IrH3][OTf] (4) catalytically deuterates a wide range of substrates with a variety of functional groups. Catalyst 4 decomposes to [Cp*PMe3Ir(η3-CH 2C(OH)CH2)][OTf] (19) in acetone and to [Cp*PMe 3IrH(CO)]-[OTf] (1-CO) in CH3OH. The catalytic H/D exchange reaction is not catalyzed by simple H+ transfer, but instead proceeds by a reversible C-H bond activation mechanism.