(1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide

Name: (1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide
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CAS No. 95088-20-3
Cat. No. CS-0438859
Purity95%,Contains 20% Tetrahydrogen compound
MDL No.None

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Excepted Quantity	$0.00
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(1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide|CS-0438859

Structure of 95088-20-3

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Description

This quinuclidinium salt features a sterically defined chiral scaffold with a vinyl group enabling downstream functionalization. The quinolin-4-ylmethyl moiety provides π-rich character, while the trifluoromethylphenyl substituent enhances lipophilicity and metabolic stability. The hydroxy-bearing stereocenter imparts directional solvation properties, supporting its use in asymmetric synthesis and catalytic systems requiring precise spatial control.

General Information

CAS No. 95088-20-3
Cat. No. CS-0438859
Purity 95%,Contains 20% Tetrahydrogen compound
MDL No. None
Storage 4°C, stored under nitrogen, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₇H₂₈BrF₃N₂O
Molecular Weight 533.42
Synonym(s) N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide
SMILES O[C@@H](C1=CC=NC2=C1C=CC=C2)[C@](C[C@H](CC3)[C@H](C4)C=C)([H])[N@+]43CC5=CC=C(C=C5)C(F)(F)F.[Br-]

Computational Chemistry Data

TPSA 33.12
LogP 2.9024
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 5

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Other Classifications

Catalysts and Ligands Organocatalytic Small Molecules Cinchona

Catalysis Asymmetric Synthesis Chiral Catalysts, Chiral Ligands, Chiral Reagents Chiral Ligands (Other)

Catalysis Asymmetric Synthesis Chiral Catalysts, Chiral Ligands, Chiral Reagents Chiral Organocatalysts (Other)

Catalysis Organocatalysts Asymmetric Organocatalysts

Catalysis Oxidation Oxidation Organocatalysts

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(1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide

CAS No. 95088-20-3

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