(DHQ)2PYR - CAS 149820-65-5

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

Catalog Number

149820-65-5

CAS

149820-65-5

IUPAC Name

4-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline

Synonyms

(DHQ)2PYR; HYDROQUININE 2,5-DIPHENYL-4,6-PYRIMIDINEDIYL DIETHER

Application

(DHQ)2Pyr is a bis-Cinchona alkaloid ligand used in enantioselective synthesis applications

Molecular Weight

881.11

Molecular Formula

C56H60N6O4

Product Information

Canonical SMILES

CC[C@H]1C[N@]2[C@](C[C@]1([H])CC2)([H])[C@H](OC3=NC(C4=CC=CC=C4)=NC(O[C@H](C5=CC=NC6=C5C=C(OC)C=C6)[C@@]7([H])[N@@](CC8)C[C@H](CC)[C@]8([H])C7)=C3C9=CC=CC=C9)C%10=C(C=C(OC)C=C%11)C%11=NC=C%10

InChI

InChI=1S/C56H60N6O4/c1-5-35-33-61-27-23-39(35)29-49(61)52(43-21-25-57-47-19-17-41(63-3)31-45(43)47)65-55-51(37-13-9-7-10-14-37)56(60-54(59-55)38-15-11-8-12-16-38)66-53(50-30-40-24-28-62(50)34-36(40)6-2)44-22-26-58-48-20-18-42(64-4)32-46(44)48/h7-22,25-26,31-32,35-36,39-40,49-50,52-53H,5-6,23-24,27-30,33-34H2,1-4H3/t35-,36-,39-,40-,49-,50-,52+,53+/m0/s1

InChI Key

SWKRDCRSJPRVNF-CVCJRGCISA-N

Purity

97%

MDL

MFCD00198109

Physical State

Solid

Appearance

white powder, crystals, crystalline powder and/or chunks

Storage

Sealed in dry. Room temperature.

Melting Point

245-248 °C

Optical Activity

+455°( c = 1.2 in methanol)

Solubility

Soluble in methanol

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)2PYR - CAS 149820-65-5

Product Information

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