901415

N-(tert-Butyl)-N-((ethoxycarbonothioyl)thio)-3,5-bis(trifluoromethyl)benzamide

• Synonym(e): Alexanian xanthylation reagent
• Empirische Formel (Hill-System): C₁₆H₁₇F₆NO₂S₂
• CAS-Nummer: 2022988-45-8
• Molekulargewicht: 433.43
• MDL-Nummer: MFCD31657505
• UNSPSC-Code: 12352111
• NACRES: NA.22

Eigenschaften

• Form: solid
• Qualitätsniveau: 100
• mp (Schmelzpunkt): 40-46 °C
• Funktionelle Gruppe: amine; fluoro
• Lagertemp.: −20°C
• SMILES String: FC(F)(F)c1cc(cc(c1)C(=O)N(SC(=S)OCC)C(C)(C)C)C(F)(F)F
• InChIKey: QDCXZVWZLHPTDJ-UHFFFAOYSA-N

Beschreibung

Anwendung

As reported by the Alexanian. laboratory, this reagent is used for site-selective, intermolecular C-H xanthylation of alkanes, leading to the rapid diversification of otherwise inert C-H bonds. Once installed, the xanthate group provides direct access to diverse product analogues via several aliphatic C-H transformations, including halogenation, deuteration, vinylation, and hydroxylation. Product is best stored in foil-wrapped vials in the freezer when not in use; however, it can be weighed out on the bench without risk of decomposition. This product is offered collaboratively with UNC-Chapel Hill and Erik Alexanian.

Sonstige Hinweise

C–H Xanthylation: A Synthetic Platform for Alkane Functionalization.

Sicherheitshinweise

• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable