3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(8α,9S)-10,11-dihydro-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione

Name: 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(8α,9S)-10,11-dihydro-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione
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CAS No. 1352957-59-5
Cat. No. CS-0093152
Purity≥97%
MDL No.None

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3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(8α,9S)-10,11-dihydro-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione|CS-0093152

Structure of 1352957-59-5

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Description

This cyclobutenedione scaffold integrates a trifluoromethyl-substituted aryl amine and a methoxycinchonan-derived amine, delivering enhanced solubility and stability in organic synthesis. The electron-deficient core enables efficient coupling reactions under mild conditions, while the sterically hindered framework resists decomposition.

Application

This compound serves as a versatile building block for medicinal chemistry, enabling the construction of complex heterocyclic scaffolds via standard coupling and cyclization protocols. The 3,5-bis(trifluoromethyl)phenyl and dihydrocinchonan moieties confer enhanced metabolic stability and favorable binding interactions, while the cyclobutenedione core facilitates regioselective functionalization. Bench-stable and compatible with common purification methods, it supports scalable synthesis in API development workflows.

General Information

CAS No. 1352957-59-5
Cat. No. CS-0093152
Purity ≥97%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₂H₃₀F₆N₄O₃
Molecular Weight 632.60
Synonym(s) 3-[[3,5-bis(trifluoroMethyl)phenyl] aMino]-4-[[(8α,9S)-10,11-dihydro-6'-Methoxycinchonan-9-yl]aMino]-3-Cyclobutene-1,2-dione
SMILES COC(C=C1)=CC(C1=NC=C2)=C2[C@H](NC(C3=O)=C(NC4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C3=O)[C@@]5(C[C@@H]6CC[N@]5C[C@@H]6CC)[H]

Computational Chemistry Data

TPSA 83.56
LogP 6.8942
H_Acceptors 7
H_Donors 2
Rotatable_Bonds 8

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(8α,9S)-10,11-dihydro-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione

CAS No. 1352957-59-5

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