3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((R)-(6-methoxyquinolin-4-yl)((1R,2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione

Name: 3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((R)-(6-methoxyquinolin-4-yl)((1R,2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione
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CAS No. 1256245-79-0
Cat. No. CS-0051569
Purity≥97%
MDL No.MFCD30802181

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3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((R)-(6-methoxyquinolin-4-yl)((1R,2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione|CS-0051569

Structure of 1256245-79-0

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General Information

CAS No. 1256245-79-0
Cat. No. CS-0051569
Purity ≥97%
MDL No. MFCD30802181
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₂H₂₈F₆N₄O₃
Molecular Weight 630.58
Synonym(s) None
SMILES C=C[C@H]1[C@@]2([H])CC[N@@](C1)[C@]([C@H](NC(C3=O)=C(NC4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C3=O)C5=C(C=C(OC)C=C6)C6=NC=C5)([H])C2

Description

This cyclobutenedione features a 3,5-bis(trifluoromethyl)phenylamino group and a (9R)-6'-methoxycinchonan-9-ylamino substituent, combining electron-deficient aromatic character with a chiral quinoline scaffold. The structure integrates a sterically defined bridge enabling precise spatial control in asymmetric synthesis applications.

Application

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(9R)-6'-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione serves as a versatile scaffold for asymmetric catalysis and medicinal chemistry applications. Its conjugated quinone core enables robust Diels-Alder reactivity, while the chiral cinchona moiety provides stereocontrol in enantioselective transformations. Bench-stable and compatible with diverse functional groups, it facilitates efficient synthesis of complex heterocyclic systems and drug-like scaffolds under standard laboratory conditions.

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 6.6702
H_Acceptors 7
H_Donors 2
Rotatable_Bonds 8

Key Words

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3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((R)-(6-methoxyquinolin-4-yl)((1R,2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione

CAS No. 1256245-79-0

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