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925706-40-7

925706-40-7 Structure

925706-40-7 Structure
IdentificationBack Directory
[Name]

(S)-5-Benzyl-2-Mesityl-6,6-diMethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-C][1,4]oxazin-2-iuM tetrafluoroborate
[CAS]

925706-40-7
[Synonyms]

(5S)-5-benzyl-6,6-dimethyl-2-(2,4,6-trimethylphenyl)-5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium
(S)-5-Benzyl-2-Mesityl-6,6-diMethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-C][1,4]oxazin-2-iuM tetrafluoroborate
[Molecular Formula]

C23H28BF4N3O
[MDL Number]

MFCD16621403
[MOL File]

925706-40-7.mol
[Molecular Weight]

449.3
Chemical PropertiesBack Directory
[Melting point ]

200-206°C
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[InChI]

1S/C23H28N3O.BF4/c1-16-11-17(2)22(18(3)12-16)26-15-25-20(13-19-9-7-6-8-10-19)23(4,5)27-14-21(25)24-26;2-1(3,4)5/h6-12,15,20H,13-14H2,1-5H3;/q+1;-1/t20-;/m0./s1
[InChIKey]

PVYSZYZMWZCJCT-BDQAORGHSA-N
[SMILES]

F[B-](F)(F)F.CC1=C(C(C)=CC(C)=C1)[N+]2=CN3C(COC(C)(C)[C@@H]3CC4=CC=CC=C4)=N2
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 4
Hazard InformationBack Directory
[Uses]

Catalyst for:
  • Intermolecular conjugate addition of alcohols to unsaturated ketones and esters
  • Preparation of β-amino carbonyl compounds by N-heterocyclic carbene-catalyzed enantioselective Mannich reactions of a-aryloxyacetaldehydes with imines
  • Asymmetric synthesis of cyclopentenes from allyl diketones by carbene-catalyzed intramolecular aldol reaction, lactonization, and carbon dioxide expulsion
  • Preparation of esters via tandem oxidation of allylic/benzylic/propargyl alcohols or aldehyde
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