1207294-92-5

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1207294-92-5 Structure

Identification	Back Directory
[Name] 5,7-Di-tert-butyl-3-phenylbenzo[d]oxazol-3-ium tetrafluoroborate
[CAS] 1207294-92-5
[Synonyms] 5,7-Di-tert-butyl-3-phenylbenzo[d]oxazol-3-ium tetrafluoroborate
[Molecular Formula] C21H26BF4NO
[MDL Number] MFCD34566941
[MOL File] 1207294-92-5.mol
[Molecular Weight] 395.25

Chemical Properties	Back Directory
[Melting point ] 215-219°C
[storage temp. ] Store at room temperature
[form ] powder
[Appearance] White to off-white Solid
[InChI] InChI=1S/C21H26NO.BF4/c1-20(2,3)15-12-17(21(4,5)6)19-18(13-15)22(14-23-19)16-10-8-7-9-11-16;2-1(3,4)5/h7-14H,1-6H3;/q+1;-1
[InChIKey] LTQHJVRMJMLRML-UHFFFAOYSA-N
[SMILES] [B+3]([F-])([F-])([F-])[F-].C(C1C=C(C(C)(C)C)C=C2[N+](C3C=CC=CC=3)=COC=12)(C)(C)C

Safety Data	Back Directory
[Symbol(GHS) ] GHS05,GHS07
[Signal word ] Danger
[Hazard statements ] H302-H314
[Precautionary statements ] P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
[RIDADR ] UN1759
[WGK Germany ] WGK 3
[HazardClass ] 8
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Uses] Deoxazole is an N-heterocyclic carbene salt which activates 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, a Ni catalyst, and [Ir(dtbbpy)(ppy)₂]PF₆.

Spectrum Detail	Back Directory
[Spectrum Detail] 5,7-Di-tert-butyl-3-phenylbenzo[d]oxazol-3-ium tetrafluoroborate(1207294-92-5)¹HNMR

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