N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxycinchonan-9-yl]thiourea

CAS No. 852913-25-8
Cat. No. CS-0091876
Purity95%,Contains 15% Tetrahydrogen compound
MDL No.None

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N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxycinchonan-9-yl]thiourea|CS-0091876

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Description

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxycinchonan-9-yl]thiourea features a sterically hindered thiourea core paired with electron-deficient aryl and chiral quinoline moieties. This configuration enables strong hydrogen-bonding interactions and enantioselective recognition in asymmetric catalysis. The trifluoromethyl groups enhance lipophilicity and metabolic stability, while the methoxy-substituted cinchona scaffold provides a well-defined chiral environment. Designed for use in organocatalytic transformations, this compound delivers high enantiocontrol in reactions such as Michael additions and Mannich-type processes under standard conditions.

Application

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxycinchonan-9-yl]thiourea serves as a chiral thiourea catalyst in asymmetric synthesis, enabling enantioselective transformations through dual hydrogen-bonding activation. Its rigid cinchona scaffold and electron-withdrawing trifluoromethyl aryl group enhance both catalytic activity and stereocontrol. The molecule exhibits bench stability, facilitates purification via crystallization, and demonstrates broad functional group tolerance in organocatalytic reactions such as Michael additions and Mannich-type processes.

General Information

CAS No. 852913-25-8
Cat. No. CS-0091876
Purity 95%,Contains 15% Tetrahydrogen compound
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₉H₂₈F₆N₄OS
Molecular Weight 594.61
Synonym(s) N-[3,5-Bis(Trifluoromethyl)Phenyl]-N-[(9R)-6-Methoxycinchonan-9-yl]- Thiourea
SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@H](C2=C(C=C(OC)C=C3)C3=NC=C2)[C@]4(C[C@@H]5CC[N@]4C[C@@H]5C=C)[H]

Computational Chemistry Data

TPSA 49.42
LogP 7.2051
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 6

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxycinchonan-9-yl]thiourea

CAS No. 852913-25-8

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