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(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

ALDRICH/708569

CAS Number: 925706-40-7
Empirical Formula (Hill Notation): C23H28BF4N3O
Molecular Weight: 449.29
MDL Number: MFCD16621403
Linear Formula: C23H28BF4N3O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-708569-100MG 100 mg
 $365.00
1/EA		 Add To Favorites
45-708569-500MG 500 mg
 $1780.00
1/EA		 Add To Favorites

 

form solid
functional group ether
  phenyl
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
mp 200-206 °C
Quality Level 100 
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
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
Packaging: 100, 500 mg in amber glass bottle
Hazard statements H413
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
mp 200-206 °C
UNSPSC 12352005

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