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Chiral Compounds
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Chiral Nitrogen Ligands
(-)-(5aS,10bR)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium ChlorideMonohydrate

(-)-(5aS,10bR)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium ChlorideMonohydrate - CAS 919102-70-8

(-)-(5aS,10bR)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium ChlorideMonohydrate is a chiral nitrogen ligand for enantioselective synthesis.

Catalog Number

919102-70-8

CAS

919102-70-8

IUPAC Name

(1R,9S)-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

Synonyms

(-)-(5aS,10bR)-5a,10b-Dihydro-2-mesityl-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride

Molecular Weight

367.87200

Molecular Formula

C21H22ClN3O.H2O

Product Information

Canonical SMILES

[H][C@]12CC3=C(C=CC=C3)[C@@]1([H])[N+]4=CN(N=C4CO2)C5=C(C)C=C(C)C=C5C.[Cl-]

InChI

InChI=1S/C21H22N3O.ClH/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/q+1;/p-1/t18-,21+;/m0./s1

InChI Key

GUECWMLEUCWYOS-OZYANKIXSA-M

Purity

>98.0%(LC)

Storage

Inert atmosphere. Keep cold.

Melting Point

217-219 °C

Optical Activity

-133.5 °c =1.0 in ethanol

Safety Information

Signal Word

Warning

Precautionary Statement

P302+P352 - P305+P351+P338

Hazard Statements

H315 - H319 - H335

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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(-)-(5aS,10bR)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium ChlorideMonohydrate - CAS 919102-70-8

Product Information

Safety Information

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