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(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2,4-triazolo[4,3-d]-1,4-oxazinium chloride monohydrate - 93%, high purity , CAS No.903571-02-8

  • ≥93%
Item Number
A466993
Grouped product items
SKUSizeAvailabilityPrice Qty
A466993-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$555.90
A466993-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,040.90

Basic Description

Specifications & Purity93%
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Product Description

Description

It is anN-mesityl-substituted chiral triazoliumN-heterocyclic carbene (NHC) compound. It was developed as an organocatalyst by the Bode group, for the catalytic generation of reactive species including activated carboxylates, homoenolates, and enolates.(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2,4-triazolo[4,3-d]-1,4-oxazinium chloride monohydrate can be used as a catalyst:In the preparation of dihydropyridinones by reacting enals or α′-hydroxyenones with vinylogous amides via aza-Claisen annulations.In the oxidative coupling reactions of di(hetero)arylmethanes with enals to yield benzimidazole fused lactams.In the synthesis of organosilanes by reacting enals with β-silyl enones.

Names and Identifiers

IUPAC Name (1S,9R)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;chloride;hydrate
INCHI InChI=1S/C21H22N3O.ClH.H2O/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23;;/h4-9,12,18,21H,10-11H2,1-3H3;1H;1H2/q+1;;/p-1/t18-,21+;;/m1../s1
InChi Key DFFDIRURHBNRTR-UITHODHBSA-M
Canonical SMILES CC1=CC(=C(C(=C1)C)N2C=[N+]3C4C(CC5=CC=CC=C45)OCC3=N2)C.O.[Cl-]
Isomeric SMILES CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@@H]4[C@@H](CC5=CC=CC=C45)OCC3=N2)C.O.[Cl-]
PubChem CID 54669739
Molecular Weight 367.88
Reaxy-Rn 10505362

Certificates

Certificate of Analysis(COA)

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Chemical and Physical Properties

Specific Rotation[α]158° (C=1,CHCl3)
Melt Point(°C)219 °C

Safety and Hazards(GHS)

Reaxy-Rn 10505362

Related Documents

Solution Calculators