N-(9-ANTHRACENYLMETHYL)CINCHONIDINIUM CH LORIDE - CAS 199588-80-2

N-(9-ANTHRACENYLMETHYL)CINCHONIDINIUM CH LORIDE is a cinchona alkaloids organocatalyst that has been intensively applied as either standalone catalysts or chiral ligands in catalytic asymmetric reactions.

Catalog Number

199588-80-2

CAS

199588-80-2

IUPAC Name

[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride

Molecular Weight

521.09

Molecular Formula

C34H33ClN2O

Product Information

Canonical SMILES

C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=C6C=CC=CC6=CC7=CC=CC=C75.[Cl-]

InChI

InChI=1S/C34H33N2O.ClH/c1-2-23-21-36(22-31-27-11-5-3-9-25(27)19-26-10-4-6-12-28(26)31)18-16-24(23)20-33(36)34(37)30-15-17-35-32-14-8-7-13-29(30)32;/h2-15,17,19,23-24,33-34,37H,1,16,18,20-22H2;1H/q+1;/p-1

InChI Key

PICKZKQBJJCSSV-UHFFFAOYSA-M

Appearance

White to yellow to beige powder or crystals

Melting Point

164 - 166 °C

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass