O-(4-Chlorobenzoyl)hydroquinine - CAS 113216-88-9

O-(4-Chlorobenzoyl)hydroquinine is a cinchona alkaloids organocatalyst that has been intensively applied as either standalone catalysts or chiral ligands in catalytic asymmetric reactions.

Catalog Number

113216-88-9

CAS

113216-88-9

IUPAC Name

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

Synonyms

Dihydroquinine 4-chlorobenzoate, Hydroquinine 4-chlorobenzoate

Molecular Weight

464.98

Molecular Formula

C27H29ClN2O3

Product Information

Canonical SMILES

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19-,25-,26+/m1/s1

InChI Key

TXVNNFDXQZFMBQ-NCYFDYJISA-N

Purity

95%

MDL

MFCD00161486

Boiling Point

598°C at 760mmHg

Melting Point

128-130°C(lit.)

Density

1.28g/cm3

Optical Activity

+150°( c = 1 in ethanol)

WGK Germany

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O-(4-Chlorobenzoyl)hydroquinine - CAS 113216-88-9

Product Information

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