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N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8α,9S)-6'-methoxycinchonan-9-yl]thiourea

  • CAS No. 852913-16-7

  • Cat. No. CS-0028351
  • Purity≥95%
  • MDL No.MFCD16875670

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

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8α,9S)-6'-methoxycinchonan-9-yl]thiourea|CS-0028351

Structure of 852913-16-7

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General Information

  • CAS No. 852913-16-7
  • Cat. No. CS-0028351
  • Purity ≥95%
  • MDL No. MFCD16875670
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₉H₂₈F₆N₄OS
  • Molecular Weight 594.61
  • Synonym(s) Thiourea,N-[3,5-bis(trifluomethyl)-N'[(8alpha,9s)-6'-methoxycinchonan-9-yl]
  • SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@@H](C2=C(C=C(OC)C=C3)C3=NC=C2)[C@@]4(C[C@@H]5CC[N@]4C[C@@H]5C=C)[H]

Application

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8α,9S)-6'-methoxycinchonan-9-yl]thiourea serves as a versatile chiral bifunctional catalyst in asymmetric synthesis, leveraging the rigid cinchona alkaloid scaffold for enantiocontrol. The thiourea moiety enables strong hydrogen-bonding activation of electrophiles, while the trifluoromethyl groups enhance electron-withdrawing character and solubility. Its bench-stable solid form facilitates handling and purification, making it well-suited for scalable asymmetric transformations in medicinal chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   49.42
  • LogP   7.2051
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   6

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