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{(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}-1-pyrrolidinyl}[4-(1-pyrrolidinyl)-3-pyridinyl]methanone

{(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}-1-pyrrolidinyl}[4-(1-pyrrolidinyl)-3-pyridinyl]methanone - CAS 951008-65-4

{(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}-1-pyrrolidinyl}[4-(1-pyrrolidinyl)-3-pyridinyl]methanone is a chiral catalyst that has been intensively applied in asymmetric reactions with high atom economy.

Catalog Number

951008-65-4

CAS

951008-65-4

IUPAC Name

[(2S)-2-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-ylpyridin-3-yl)methanone

Synonyms

(S)-2-{1-{[4-(1-Pyrrolidinyl)-3-pyridinyl]carbonyl}-2-pyrrolidinyl}bis[3,5-bis(trifluoromethyl)phenyl]methanol, Chiral DMAP

Molecular Weight

699.53

Molecular Formula

C31H25F12N3O2

Product Information

Canonical SMILES

OC([C@@H]1CCCN1C(=O)c2cnccc2N3CCCC3)(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)c5cc(cc(c5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C31H25F12N3O2/c32-28(33,34)19-10-17(11-20(14-19)29(35,36)37)27(48,18-12-21(30(38,39)40)15-22(13-18)31(41,42)43)25-4-3-9-46(25)26(47)23-16-44-6-5-24(23)45-7-1-2-8-45/h5-6,10-16,25,48H,1-4,7-9H2/t25-/m0/s1

InChI Key

LVJPWYSGCCTYAC-VWLOTQADSA-N

Purity

97%

MDL

MFCD17015289

Optical Activity

53±3.0°( c = 1 in ethanol)

WGK Germany

Safety Information

Signal Word

Warning

Precautionary Statement

P302+P352 - P305+P351+P338

Hazard Statements

H315 - H319 - H335

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{(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}-1-pyrrolidinyl}[4-(1-pyrrolidinyl)-3-pyridinyl]methanone - CAS 951008-65-4

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