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

Name: 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(9R)-10,11-dihydro-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione
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CAS No. 1407166-63-5
Cat. No. CS-0093198
Purity≥97%
MDL No.None

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3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(9R)-10,11-dihydro-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione|CS-0093198

Structure of 1407166-63-5

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General Information

CAS No. 1407166-63-5
Cat. No. CS-0093198
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-[9R-10,11-dihydro-6'-Methoxycinchonan-9-yl]aMino]-3-Cyclobutene-1,2-dione
SMILES O=C1C(N[C@H](C2=C(C=C(OC)C=C3)C3=NC=C2)[C@]4(C[C@@H]5CC[N@]4C[C@@H]5CC)[H])=C(NC6=CC(C(F)(F)F)=CC(C(F)(F)F)=C6)C1=O

Description

This cyclobutenedione features a trifluoromethyl-substituted aniline moiety paired with a methoxycinchonan amine, delivering enhanced electron-withdrawing character and steric bulk. The fused quinoline scaffold enables robust coordination in catalytic systems, while the dihydrocinnamoyl framework supports stable conjugation. Designed for precision synthesis in advanced organic frameworks.

Application

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(9R)-10,11-dihydro-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione serves as a versatile building block for complex heterocyclic scaffolds, leveraging its ortho-quinone methide reactivity and dual amine functionalities. The trifluoromethyl aryl group enhances metabolic stability and lipophilicity, while the cinchona-derived moiety provides chiral control in asymmetric synthesis. Bench-stable and compatible with standard purification methods, it facilitates efficient construction of bioactive frameworks in medicinal chemistry workflows.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 83.56
LogP 6.8942
H_Acceptors 7
H_Donors 2
Rotatable_Bonds 8

Key Words

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

CAS No. 1407166-63-5

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