901744

2-(5-(3-(4-(2-Bromo-5-fluorophenoxy)piperidin-1-yl)isoxazol-5-yl)-2H-tetrazol-2-yl)acetic acid

• Synonym(e): Aryl halide chemistry informer library compound X9
• Empirische Formel (Hill-System): C₁₇H₁₆BrFN₆O₄
• CAS-Nummer: 1030612-90-8
• Molekulargewicht: 467.25
• MDL-Nummer: MFCD20039622
• UNSPSC-Code: 12352106
• NACRES: NA.22

Eigenschaften

• Form: powder or crystals
• Verfügbarkeit: available only in USA
• InChI: 1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)
• InChIKey: UJEAABFSXKCSGI-UHFFFAOYSA-N

Beschreibung

Anwendung

This product is Informer compound X9 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

2.Synthesis of Complex Druglike Molecules by the Use of Highly Functionalized Bench-Stable Organozinc Reagents

Sicherheitshinweise

• Piktogramme: GHS02
• Signalwort: Danger
• H-Sätze: H242
• P-Sätze: P210 - P234 - P235 - P240 - P370 + P378 - P403
• Gefahreneinstufungen: Self-react. C
• Lagerklassenschlüssel: 5.2 - Organic peroxides and self-reacting hazardous materials
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable