708569
(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
functional group
ether
phenyl
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
Related Categories
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
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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