924253
Deoxazole-quat
≥95%
Synonym(s):
5,7-Di-tert-butyl-3-(4-(trifluoromethyl)phenyl)benzo[d]oxazol-3-ium tetrafluoroborate
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All Photos(1)
About This Item
Empirical Formula (Hill Notation):
C22H25BF7NO
CAS Number:
Molecular Weight:
463.24
UNSPSC Code:
12161600
NACRES:
NA.21
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Quality Level
assay
≥95%
form
powder
mp
230-234 °C
SMILES string
CC(C)(C)C1=CC([N+](C2=CC=C(C(F)(F)F)C=C2)=CO3)=C3C(C(C)(C)C)=C1.F[B-2](F)(F)F
Application
Deoxazole-quat is an N-heterocyclic carbene salt which activates tertiary free alcohols for a C-C cross coupling reaction with aryl halides. The MacMillan group developed a mild, robust, and selective metallaphotoredox-based cross-coupling platform for the deoxygenative coupling for free alcohols using Deoxazole-quat, a Ni catalyst, and [Ir(dtbbpy)(ppy)2]PF6.
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Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Certificates of Analysis (COA)
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Zhe Dong et al.
Nature, 598(7881), 451-456 (2021-09-01)
Metal-catalysed cross-couplings are a mainstay of organic synthesis and are widely used for the formation of C-C bonds, particularly in the production of unsaturated scaffolds1. However, alkyl cross-couplings using native sp3-hybridized functional groups such as alcohols remain relatively underdeveloped2. In particular
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