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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea

  • CAS No. 1048692-61-0

  • Cat. No. CS-0093583
  • Purity≥97%
  • MDL No.MFCD30541699

*For research and further manufacturing use only, not for direct human use.

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea|CS-0093583

Structure of 1048692-61-0

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General Information

  • CAS No. 1048692-61-0
  • Cat. No. CS-0093583
  • Purity ≥97%
  • MDL No. MFCD30541699
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₁F₆N₃S
  • Molecular Weight 401.41
  • Synonym(s) R-1-(3,5-bis(trifluoroMethyl)phenyl)-3-(1-(di MethylaMino)-3-Methylbutan-2-yl)thiourea
  • SMILES CN(C[C@H](NC(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=S)C(C)C)C

Description

This chiral thiourea features a sterically hindered dimethylamino-substituted alkyl group paired with a strongly electron-deficient aryl scaffold, enabling precise hydrogen-bonding recognition in asymmetric catalysis. The trifluoromethylated phenyl moiety enhances lipophilicity and stability, while the (R)-configuration ensures high enantioselectivity in transition-metal-free transformations.

Application

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(dimethylamino)-3-methylbutan-2-yl]thiourea serves as a versatile chiral building block for medicinal chemistry applications, leveraging the electron-withdrawing influence of the bis(trifluoromethyl)phenyl group to modulate reactivity and metabolic stability. The thiourea moiety enables hydrogen bonding interactions in target binding, while the sterically hindered (dimethylamino)-3-methylbutan-2-yl side chain enhances conformational rigidity and solubility. This compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for high-throughput synthesis of bioactive small molecules and targeted screening libraries.

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   4.5968
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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