N-[(1S,2S)-2-[Bis(phenylmethyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea

Name: N-[(1S,2S)-2-[Bis(phenylmethyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea
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CAS No. 1233369-39-5
Cat. No. CS-0093589
Purity≥97%
MDL No.MFCD30541682

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N-[(1S,2S)-2-[Bis(phenylmethyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea|CS-0093589

Structure of 1233369-39-5

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General Information

CAS No. 1233369-39-5
Cat. No. CS-0093589
Purity ≥97%
MDL No. MFCD30541682
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₉H₂₉F₆N₃S
Molecular Weight 565.62
Synonym(s) N-[(1S,2S)-2-[bis(phenylMethyl)aMino]cyclohexyl]-N'-[3,5-bis(trifluoroMethyl)phenyl]-Thiourea
SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@H]2CCCC[C@@H]2N(CC3=CC=CC=C3)CC4=CC=CC=C4

Description

This thiourea derivative features a chiral cyclohexyl scaffold bearing a bis(phenylmethyl)amino group and a 3,5-bis(trifluoromethyl)phenyl substituent, delivering enhanced steric bulk and electron-withdrawing character. The structure enables precise molecular recognition in supramolecular systems and facilitates robust hydrogen-bonding interactions in catalytic or sensing applications under standard conditions.

Application

N-[(1S,2S)-2-[Bis(phenylmethyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea serves as a versatile chiral bifunctional scaffold for asymmetric synthesis. The thiourea moiety enables strong hydrogen-bonding interactions in organocatalysis, while the rigid cyclohexyl backbone with bis(phenylmethyl)amino groups provides defined stereochemical control. Bench-stable and compatible with common reaction conditions, it facilitates enantioselective transformations including Michael additions and Mannich reactions, offering reliable performance in synthetic methodology 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 27.3
LogP 8.0242
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 7

Key Words

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N-[(1S,2S)-2-[Bis(phenylmethyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea

CAS No. 1233369-39-5

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