957770-66-0

Basic information

• Product Name: N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(8α,9S)-6'-Methoxycinchonan-9-yl]-Urea
• Synonyms: N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(8α,9S)-6'-Methoxycinchonan-9-yl]-Urea
• CAS NO: 957770-66-0
• Molecular Formula: C₂₉H₂₈F₆N₄O₂
• Molecular Weight: 578.55
• Mol File: 957770-66-0.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 589.6±50.0 °C(Predicted)
• Appearance: /
• Density: 1.38±0.1 g/cm3(Predicted)
• PKA: 11.85±0.46(Predicted)
• CAS DataBase Reference: N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(8α,9S)-6'-Methoxycinchonan-9-yl]-Urea(CAS DataBase Reference)
• NIST Chemistry Reference: N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(8α,9S)-6'-Methoxycinchonan-9-yl]-Urea(957770-66-0)
• EPA Substance Registry System: N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(8α,9S)-6'-Methoxycinchonan-9-yl]-Urea(957770-66-0)

Safety Data

• Hazardous Substances Data: 957770-66-0(Hazardous Substances Data)

Usage

General Description

N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(8α,9S)-6'-Methoxycinchonan-9-yl]-Urea is a chemical compound that belongs to the class of urea derivatives. It has a molecular formula of C29H26F6N4O3 and a molecular weight of 608.53 g/mol. N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(8α,9S)-6'-Methoxycinchonan-9-yl]-Urea is a potential inhibitor of various biological targets and has been studied for its potential medicinal properties. It is often used in research and drug development to investigate its pharmacological effects and potential therapeutic applications. Additionally, its unique structure makes it a valuable tool for studying the structure-activity relationships of similar compounds and may have potential applications in the fields of medicine and pharmaceuticals.

Upstream product

• 130-95-0 quinine 
• 16588-74-2 3,5-ditrifluoromethylisocyanate 
• 1231763-32-8 (8α,9S)-6'-methoxycinchonan-9-amine trihydrochloride 
• 130-95-0 Quinine 
• 168778-61-8 (8S,9S)-9-azido-(9-deoxy)epiquinine 
• 189309-10-2 (8α, 9S)-9-amine-6'-methoxycinchonan 
• 249731-47-3 9-mesylquinine 

Relevant articles and documents

Catalytic atroposelective dynamic kinetic resolutions and kinetic resolutions towards 3-arylquinolinesviaSNAr

Herein we report the catalytic atroposelective syntheses of pharmaceutically relevant 3-arylquinolinesviathe nucleophilic aromatic substitution (SNAr) of thiophenols into 3-aryl-2-fluoroquinolines mediated by catalytic amounts of Cinchona alkaloid-derived ureas. These reactions displayed a spectrum of dynamic kinetic resolution (DKR) and kinetic resolution (KR) characters depending upon the stereochemical stability of the starting material. Low barrier substrates proceededviaDKR while higher barrier substrates proceededviaKR. On the other hand, substrates with intermediate stabilities displayed hallmarks of both DKR and KR. Finally, we also show that we can functionalize the atropisomerically enriched quinolines into pharmaceutically privileged scaffolds with minimal observed racemization.

Catalytic Asymmetric Synthesis of Quaternary Barbituric Acids

The catalytic asymmetric α-functionalization of prochiral barbituric acids, a subtype of pseudosymmetric 1,3-diamides, to yield the corresponding 5,5-disubstituted (quaternary) derivatives remains essentially unsolved. In this study 2-alkylthio-4,6-dioxopirimidines are designed as key 1,3-diamide surrogates that perform exceedingly in amine-squaramide catalyzed C-C bond forming reactions with vinyl ketones or Morita-Baylis-Hillmann-type allyl bromides as electrophiles. Mild acid hydrolysis of adducts affords barbituric acid derivatives with an in-ring quaternary carbon in unprecedented enantioselectivity, offering valuable materials for biological evaluations.

Stereoselective glycosylation of 2-nitrogalactals catalyzed by a bifunctional organocatalyst

The use of a bifunctional cinchona/thiourea organocatalyst for the direct and α-stereoselective glycosylation of 2-nitrogalactals is demonstrated for the first time. The conditions are mild, practical, and applicable to a wide range of glycoside acceptors with products being isolated in good to excellent yields. The method is exemplified in the synthesis of mucin type Core 6 and 7 glycopeptides.