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708569

Sigma-Aldrich

(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

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About This Item

Empirical Formula (Hill Notation):
C23H28BF4N3O
CAS Number:
Molecular Weight:
449.29
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

form

solid

Quality Level

mp

200-206 °C

SMILES string

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

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

InChI key

PVYSZYZMWZCJCT-BDQAORGHSA-N

Application

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

Hazard Statements

Precautionary Statements

Hazard Classifications

Aquatic Chronic 4

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

新产品

Certificates of Analysis (COA)

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