901415
N-(tert-Butyl)-N-((ethoxycarbonothioyl)thio)-3,5-bis(trifluoromethyl)benzamide
Synonym(s):
Alexanian xanthylation reagent
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About This Item
Empirical Formula (Hill Notation):
C16H17F6NO2S2
CAS Number:
Molecular Weight:
433.43
MDL number:
UNSPSC Code:
12352111
NACRES:
NA.22
Recommended Products
form
solid
Quality Level
mp
40-46 °C
functional group
amine
fluoro
storage temp.
−20°C
SMILES string
FC(F)(F)c1cc(cc(c1)C(=O)N(SC(=S)OCC)C(C)(C)C)C(F)(F)F
InChI key
QDCXZVWZLHPTDJ-UHFFFAOYSA-N
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.
related product
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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William L Czaplyski et al.
Journal of the American Chemical Society (2016-10-16)
Intermolecular functionalizations of aliphatic C-H bonds offer unique strategies for the synthesis and late-stage derivatization of complex molecules, but the chemical space accessible remains limited. Herein, we report a transformation significantly expanding the chemotypes accessible via C-H functionalization. The C-H
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