HYDROQUINIDINE 4-CHLOROBENZOATE - CAS 113162-02-0

HYDROQUINIDINE 4-CHLOROBENZOATE is a cinchona alkaloids organocatalyst that has been intensively applied as either standalone catalysts or chiral ligands in catalytic asymmetric reactions.

Catalog Number

113162-02-0

CAS

113162-02-0

IUPAC Name

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

Synonyms

O-(4-CHLOROBENZOYL)HYDROQUINIDINE; DIHYDROQUINIDINE 4-CHLOROBENZOATE; HYDROQUINIDINE 4-CHLOROBENZOATE; Dihydroquindine 4-chlorobenzoate; O-(4-Chlorobenzoyl)hydroquinidine, Dihydroquinidine 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-XHYUFEOFSA-N

Purity

95%

MDL

MFCD00151148

Appearance

White solid

Storage

Inert atmosphere. Keep cold.

Boiling Point

598°C at 760mmHg

Melting Point

102-105°C(lit.)

Density

1.28g/cm3

Optical Activity

−73°( c = 1 in ethanol)

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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HYDROQUINIDINE 4-CHLOROBENZOATE - CAS 113162-02-0

Product Information

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