(DHQ)2AQN - CAS 176097-24-8

(DHQ)2AQN is a cinchona alkaloids organocatalyst that has been intensively applied as either standalone catalysts or chiral ligands in catalytic asymmetric reactions.

Catalog Number

176097-24-8

CAS

176097-24-8

IUPAC Name

1,4-bis[(R)-[(2R,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]anthracene-9,10-dione

Synonyms

Hydroquinine anthraquinone-1,4-diyl diether

Application

(DHQ)2AQN is a useful ligand for asymmetric dihydroxylation reactions

Molecular Weight

857.05

Molecular Formula

C54H56N4O6

Product Information

Canonical SMILES

O=C1C2=C(C=CC=C2)C(C3=C(O[C@@H]([C@H]4[N@@]5C[C@H](CC)[C@](CC5)([H])C4)C6=CC=NC7=CC=C(OC)C=C67)C=CC(O[C@@H]([C@H]8[N@@]9C[C@H](CC)[C@](CC9)([H])C8)C%10=CC=NC%11=CC=C(OC)C=C%10%11)=C13)=O

InChI

InChI=1S/C54H56N4O6/c1-5-31-29-57-23-19-33(31)25-45(57)53(39-17-21-55-43-13-11-35(61-3)27-41(39)43)63-47-15-16-48(50-49(47)51(59)37-9-7-8-10-38(37)52(50)60)64-54(46-26-34-20-24-58(46)30-32(34)6-2)40-18-22-56-44-14-12-36(62-4)28-42(40)44/h7-18,21-22,27-28,31-34,45-46,53-54H,5-6,19-20,23-26,29-30H2,1-4H3/t31-,32-,33+,34+,45-,46-,53-,54-/m1/s1

InChI Key

ARCFYUDCVYJQRN-KGHNJIHGSA-N

Purity

95%

MDL

MFCD00467215

Physical State

Solid

Appearance

Powder

Storage

Sealed in dry. Room temperature.

Melting Point

175-180 °C

Optical Activity

+495°( c = 1 in chloroform)

WGK Germany

Safety Information

Signal Word

Warning

Precautionary Statement

P261 - 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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(DHQ)2AQN - CAS 176097-24-8

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