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

• Empirical Formula (Hill Notation): C₂₃H₂₈BF₄N₃O
• CAS Number: 925706-40-7
• Molecular Weight: 449.29
• MDL number: MFCD16621403
• UNSPSC Code: 12352005
• PubChem Substance ID: 329762808
• NACRES: NA.22

Properties

• form: solid
• 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

Description

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

Safety Information

• hcodes: H413
• pcodes: P273 - P501
• Hazard Classifications: Aquatic Chronic 4
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)