(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 - ≥97% , CAS No.925706-40-7

CAS: 925706-40-7 Cat. No.: S487371 Molecular Weight: 449.29 EC Number: 632-992-1 PubChem CID: 71310800

GRADE & PURITY ≥97%

Synonyms

BS-51683 | (S)-5-Benzyl-2-mesityl-6,6-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-iumtetrafluoroborate | (5S)-5-Benzyl-6,6-dimethyl-2-(2,4,6-trimethylphenyl)-2,5,6,8-tetrahydro[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate | (S)

Storage

Room temperature

Overview

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

Specifications

Synonyms

BS-51683 | (S)-5-Benzyl-2-mesityl-6, 6-dimethyl-6, 8-dihydro-5H-[1, 2, 4]triazolo[3, 4-c][1, 4]oxazin-2-iumtetrafluoroborate | (5S)-5-Benzyl-6, 6-dimethyl-2-(2, 4, 6-trimethylphenyl)-2, 5, 6, 8-tetrahydro[1, 2, 4]triazolo[3, 4-c][1, 4]oxazin-4-ium tetrafluoroborate | (S)

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3C(C(OCC3=N2)(C)C)CC4=CC=CC=C4)C
• IUPAC Name: (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;tetrafluoroborate
• InChIKey: PVYSZYZMWZCJCT-BDQAORGHSA-N
• 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
• Isomeric SMILES: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@H](C(OCC3=N2)(C)C)CC4=CC=CC=C4)C
• WGK Germany: 3
• PubChem CID: 71310800
• Molecular Weight: 449.29

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 200-206 °C