3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione

Name: 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione
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CAS No. 1223105-89-2
Cat. No. CS-0092978
Purity≥97%
MDL No.None

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3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione|CS-0092978

Structure of 1223105-89-2

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General Information

CAS No. 1223105-89-2
Cat. No. CS-0092978
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 C₂₈H₂₃F₆N₃O₂
Molecular Weight 547.49
Synonym(s) 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)-1,2-diphenylethyl]aMino]-3-C
SMILES O=C1C(NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=C(N[C@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)N(C)C)C1=O

Description

This cyclobutenedione features a trifluoromethyl-substituted aryl amine and a chiral diphenylethylamine moiety, enabling precise spatial control in asymmetric synthesis. The electron-deficient enone core facilitates nucleophilic addition, while the dimethylamino group enhances solubility and reactivity under standard conditions.

Application

This compound serves as a versatile building block for complex heterocyclic systems, leveraging the electron-withdrawing trifluoromethyl groups to enhance reactivity in nucleophilic substitution and cycloaddition processes. The amine functionalities enable conjugation with diverse scaffolds, while the cyclobutenedione core provides a rigid, planar framework suitable for medicinal chemistry applications. Bench-stable and compatible with standard purification protocols, it facilitates efficient synthesis of advanced intermediates in API development.

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 61.44
LogP 6.5199
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 8

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3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione

CAS No. 1223105-89-2

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