901779

4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile

• Synonym(e): Aryl halide chemistry informer library compound X11
• Empirische Formel (Hill-System): C₂₀H₁₅BrN₆O
• CAS-Nummer: 269055-15-4
• Molekulargewicht: 435.28
• MDL-Nummer: MFCD09837879
• UNSPSC-Code: 12352101
• NACRES: NA.22

Eigenschaften

• Form: powder
• mp (Schmelzpunkt): 246-251 °C
• Funktionelle Gruppe: bromo; nitrile
• InChI: 1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
• InChIKey: PYGWGZALEOIKDF-UHFFFAOYSA-N

Beschreibung

Anwendung

This product is informer compound X11 of the Aryl Halide Chemistry Informer Library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.

Vorsicht

Not Fully Tested.

Sonstige Hinweise

1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613

Sicherheitshinweise

• Piktogramme: GHS09
• Signalwort: Warning
• H-Sätze: H410
• P-Sätze: P273 - P391 - P501
• Gefahreneinstufungen: Aquatic Acute 1 - Aquatic Chronic 1
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable