76579-46-9

Upstream product

• 420-87-1 sodium 2,2,2-trifluoroethanolate 
• 555-16-8 4-nitrobenzaldehdye 
• 25236-64-0 2,2,2-trifluoroethyl methanesulfonate 
• 123-08-0 4-hydroxy-benzaldehyde 
• 433-06-7 2,2,2-Trifluoroethyl p-toluenesulfonate 
• 353-83-3 1,1,1-trifluoro-2-iodoethane 
• 75-89-8 2,2,2-trifluoroethanol 
• 1122-91-4 4-bromo-benzaldehyde 
• 104-88-1 4-chlorobenzaldehyde 
• 87199-17-5 4-formylphenylboronic acid, 

Downstream Products

• 1026724-01-5 4,5-dimethyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazole 3-oxide 
• 126300-83-2 4-trifluoroethoxybenzyl bromide 
• 1353656-75-3 rac-4-[1-({6-amino-3,5-dicyano-4-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}sulfanyl)ethyl]-N-methylpyridine-2-carboxamide 
• 1353657-23-4 2-amino-6-sulfanyl-4-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3,5-dicarbonitrile 
• 128140-42-1 4'-Pentyl-4-{2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-ethyl}-bicyclohexyl 
• 128140-40-9 4-(2,2,2-Trifluoro-ethoxy)-benzoic acid 4-ethoxy-phenyl ester 
• 1025814-69-0 C₃₃H₃₉F₃N₂O₈ 
• 1027238-74-9 N-[3-(3-{5-methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazol-4-ylmethoxy}-phenyl)-but-2-enyl]-hydroxylamine 
• 1028282-42-9 (E)-3-(3-{5-Methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazol-4-ylmethoxy}-phenyl)-but-2-enoic acid ethyl ester 
• 1026960-88-2 (E)-3-(3-{5-Methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazol-4-ylmethoxy}-phenyl)-but-2-en-1-ol 
• 1027286-99-2 4-[3-((E)-3-Chloro-1-methyl-propenyl)-phenoxymethyl]-5-methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazole 
• 1025984-75-1 4-chloromethyl-5-methyl-2-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-oxazole 

Relevant academic research and scientific papers

Design, Synthesis, Biological Evaluation, and Computational Studies of Novel Fluorinated Candidates as PI3K Inhibitors: Targeting Fluorophilic Binding Sites

Highly fluorinated candidates containing anticancer pharmacophores like thiosemicarbazone (5a-e) and its cyclic analogues hydrazineylidenethiazolidine (6a-e), 2-aminothiadiazole (7a-e), and 2-hydrazineylidenethiazolidin-4-one (8a-e) were synthesized, and their cytotoxic activity was assayed against 60 tumor cell lines. Compounds 6c, 7b, and 8b displayed the most potent activity with lower toxic effects on MCF-10a. In vitro phosphatidylinositol 3-kinase (PI3K) enzyme inhibition was performed. Compound 6c displayed half-maximal inhibitory concentration (IC50, μM) values of 5.8, 2.3, and 7.9; compound 7b displayed IC50 values of 19.4, 30.7, and 73.7; and compound 8b displayed IC50 values of 77.5, 53.5, and 121.3 for PI3Kα, β, and δ, respectively. Moreover, cell cycle progression caused cell cycle arrest at the S phase for compounds 6c and 8b and at G1/S for compound 7b, while apoptosis was induced. In silico studies; molecular docking; physicochemical parameters; and absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis were performed. The results showed that compound 6c is the most potent one with a selectivity index (SI) of 39 and is considered as a latent lead for further optimization of anticancer agents.

Copper-catalyzed oxidative trifluoroethoxylation of aryl boronic acids with CF3CH2OH

A mild and efficient copper-catalyzed oxidative trifluoroethoxylation of aryl and heteroaryl boronic acids with CF3CH2OH has been developed. This protocol tolerates a range of functional groups, allowing access to a variety of aryl and heteroaryl trifluoroethyl ethers.

Palladium-Catalyzed 2,2,2-Trifluoroethoxylation of Aromatic and Heteroaromatic Chlorides Utilizing Borate Salt and the Synthesis of a Trifluoro Analogue of Sildenafil

A simple and convenient method was developed for the introduction of a 2,2,2-trifluoroethoxy group to various aromatic and heteroaromatic systems. The novel process utilizes aromatic chlorides as substrates, and tetrakis(2,2,2-trifluoroethoxy) borate salt as an inexpensive and readily available fluoroalkoxy source in a palladium-catalyzed cross-coupling reaction. The power of the developed methodology was demonstrated in the synthesis of a fluorous derivative of Sildenafil.

Method for preparing aryl trifluoroethoxyl ether

The invention relates to a method for preparing aryl trifluoroethoxyl ether. The method includes the steps that aryl boron compounds and trifluoroethanol are added to organic solvent, a copper salt catalyst, a ligand and an oxidizing agent are added, a reaction is conducted in a stirring mode for 1-40 hours at the temperature of 0-60 DEG C, filtering is conducted, column chromatography isolation is conducted, and the aryl trifluoroethoxyl ether is obtained. The method is simple in operation, raw materials are easy to obtain, the reaction condition is mild, the substrate universality is wide, the environmental friendliness is achieved, and the method is applicable to industrial application.

A general, mild and efficient palladium-catalyzed 2,2,2-trifluoroethoxylation of activated aryl bromides and bromo-chalcones: Bromo-chalcones a new coupling partner in cross-coupling reaction

An efficient protocol for Pd-catalyzed 2,2,2-trifluoroethoxylation of activated aryl bromides and bromo-chalcones has been developed. We unveil a fascinating insight into the Pd-catalyzed C-O cross-coupling reaction. Pd/tBuXPhos (L1) ligand system facilitates the C-O cross-coupling reaction between 2,2,2-trifluoroethanol and activated aryl bromides at both higher (115 °C) and lower temperatures (40 °C). Unprecedentedly, this catalyst system facilitates the C-O cross-coupling reaction in short span of reaction times, generally 5-25 min (at 115 °C). The structurally simple analogue of tBuXPhos ligand so called JohnPhos (L2) ligand is also facilitated the C-O bond formation with activated aryl bromides and bromo-chalcones. Interestingly, under the optimal conditions (L1), methanol is also coupled rapidly with activated aryl bromides. These catalyst systems (L1 and L2) fail to couple electron rich aryl bromides with 2,2,2-trifluoroethanol, thus these catalyst systems allow the reductive elimination through an electronic pathway of reductive elimination. The unusual reactivity of 2,2,2-trifluoroethanol in Pd-catalyzed C-O cross-coupling reaction makes that the chemistry of fluorinated molecules is unique than that of non-fluorinated analogues. The bromo-chalcones can be used as a new coupling partner in the cross-coupling reaction.

The flocculated acryloyldimethyltauric molecule ligand

Provided are certain benzothiazole, imidazothiazole, imidazopyrimidine and imidazopyridine compounds, including, for example: formula (I) and pharmaceutically and physiologically acceptable salts, hydrates, and solvates thereof. Such compounds can be used as diagnostic ligands or labels of tau protein and PHF.

BrettPhos ligand supported palladium-catalyzed C-O bond formation through an electronic pathway of reductive elimination: Fluoroalkoxylation of activated aryl halides

We report an unprecedented BrettPhos ligand supported Pd-catalyzed C-O bond-forming reaction of activated aryl halides with primary fluoroalkyl alcohols. We demonstrate that the Phosphine ligand (BrettPhos) possesses the property of altering the mechanistic pathway of reductive elimination from nucleophile to nucleophile. The Pd/BrettPhos catalyst system facilitates the reductive elimination of the oxygen nucleophile through an electronic pathway.

ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES

The invention provides compounds of formula la, lb and Ic: [Formula Ia, Ib, and Ic] and salts thereof, wherein variables are as described in the specification, as well as compositions comprising a compound of formula Ia-Ic, methods of making such compounds, and methods of using such compounds, e.g., as inhibitors of bacterial RNA polymerase and as antibacterial agents.

METALLOENZYME INHIBITOR COMPOUNDS

The instant invention describes compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes.

METALLOENZYME INHIBITOR COMPOUNDS

The instant invention describes compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes.