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Cinchona Alkaloids
Cinchonan,9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-,(9S,9''S)-

Cinchonan,9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-,(9S,9''S)- - CAS 149725-81-5

Cinchonan,9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-,(9S,9''S)- is a cinchona alkaloids organocatalyst that has been intensively applied as either standalone catalysts or chiral ligands in catalytic asymmetric reactions.

Catalog Number

149725-81-5

CAS

149725-81-5

IUPAC Name

4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,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

HYDROQUINIDINE 2,5-DIPHENYL-4,6-PYRIMIDINEDIYL DIETHER; (DHQD)2PYR

Molecular Weight

881.11

Molecular Formula

C56H60 N6 O4

Product Information

Canonical SMILES

CC[C@H]([C@@H](CC1)C2)C[N@]1[C@@]2([H])[C@H](C3=CC=NC4=C3C=C(OC)C=C4)OC5=C(C6=CC=CC=C6)C(O[C@@H](C7=CC=NC8=C7C=C(OC)C=C8)[C@]9([H])[N@@]%10C[C@@H]([C@@H](CC%10)C9)CC)=NC(C%11=CC=CC=C%11)=N5

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-DOGDSVMGSA-N

Purity

97%

MDL

MFCD00198108

Physical State

Solid

Appearance

White solid

Storage

Inert atmosphere. Keep cold.

Melting Point

247-250 °C

Optical Activity

−390°( c = 1.2 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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Cinchonan,9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-,(9S,9''S)- - CAS 149725-81-5

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