ChemicalBook--->CAS DataBase List--->1207294-92-5

1207294-92-5

1207294-92-5 Structure

1207294-92-5 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

GHS hazard pictogramsGHS hazard pictograms
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 InformationBack 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 DetailBack Directory
[Spectrum Detail]

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