| Identification | Back Directory | [Name]
5,7-Di-tert-butyl-3-(4-(trifluoromethyl)phenyl)benzo[d]oxazol-3-ium tetrafluoroborate | [CAS]
2750161-92-1 | [Synonyms]
5,7-Di-tert-butyl-3-(4-(trifluoromethyl)phenyl)benzo[d]oxazol-3-ium tetrafluoroborate
5,7-Di-tert-butyl-3- (4- (trifluoromethyl) phenyl) benzo [D] oxazole-3-onium Tetrafluoroborate
Benzoxazolium, 5,7-bis(1,1-dimethylethyl)-3-[4-(trifluoromethyl)phenyl]-, tetrafluoroborate(1-) (1:1) | [Molecular Formula]
C22H25BF7NO | [MOL File]
2750161-92-1.mol | [Molecular Weight]
463.25 |
| Chemical Properties | Back Directory | [Melting point ]
230-234°C | [storage temp. ]
RT, protect from light, stored under nitrogen | [form ]
powder | [Appearance]
White to light yellow Solid | [InChI]
InChI=1S/C22H25F3NO.BF4/c1-20(2,3)15-11-17(21(4,5)6)19-18(12-15)26(13-27-19)16-9-7-14(8-10-16)22(23,24)25;2-1(3,4)5/h7-13H,1-6H3;/q+1;-1 | [InChIKey]
LBPQFQRZKBOBHL-UHFFFAOYSA-N | [SMILES]
[B+3]([F-])([F-])([F-])[F-].C(C1C=C(C(C)(C)C)C=C2[N+](C3C=CC(C(F)(F)F)=CC=3)=COC=12)(C)(C)C |
| Hazard Information | Back Directory | [Uses]
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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