N-(tert-Butyl)-N-((ethoxycarbonothioyl)thio)-3,5-bis(trifluoromethyl)benzamide
ALDRICH/901415
Synonym: Alexanian xanthylation reagent
CAS Number: 2022988-45-8
Empirical Formula (Hill Notation): C16H17F6NO2S2
Molecular Weight: 433.43
MDL Number: MFCD31657505
Linear Formula: C16H17F6NO2S2
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 901415-1G.
| form | solid |
| functional group | amine |
| fluoro | |
| InChI key | QDCXZVWZLHPTDJ-UHFFFAOYSA |
| mp | 40-46 °C |
| Quality Level | 100  |
| SMILES string | FC(F)(F)c1cc(cc(c1)C(=O)N |
| storage temp. | −20°C |
| Application: | 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. |
| Other Notes: | C–H Xanthylation: A Synthetic Platform for Alkane Functionalization. |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| mp | 40-46 °C |
| Storage Temp. | −20°C |
| UNSPSC | 12352111 |