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CS-W001157 4
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4-Hydroxy-2-(trifluoromethyl)benzaldehyde

  • CAS No. 1243395-68-7

  • Cat. No. CS-W022187
  • Purity≥96%
  • MDL No.MFCD15528830

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

4-Hydroxy-2-(trifluoromethyl)benzaldehyde|CS-W022187

Structure of 1243395-68-7

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General Information

  • CAS No. 1243395-68-7
  • Cat. No. CS-W022187
  • Purity ≥96%
  • MDL No. MFCD15528830
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) 4-hydroxy-2-trifluoromethylbenzaldehyde
  • SMILES O=CC1=CC=C(O)C=C1C(F)(F)F

Description

4-Hydroxy-2-(trifluoromethyl)benzaldehyde features a phenolic hydroxyl group and a strongly electron-withdrawing trifluoromethyl substituent positioned ortho to the aldehyde. This combination imparts enhanced reactivity in nucleophilic addition reactions while maintaining bench-stable handling characteristics under standard conditions.

Application

4-Hydroxy-2-(trifluoromethyl)benzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to bioactive heterocycles. Its ortho-hydroxyl and trifluoromethyl groups provide enhanced solubility, metabolic stability, and favorable electronic effects for downstream functionalization. The aldehyde group facilitates reliable reductive amination, condensation, and Ullmann-type coupling reactions. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step synthetic sequences requiring high functional group tolerance and predictable reactivity.

Synthesis

  • Route1

    References

    • FOREST LABORATORIES HOLDINGS LIMITED; SARMA, Pakala Kumara, Savithru; ACHARYA, Vinod, Parameshwaran; KASIBHATLA, Srinivas, Rao; TIWARI, Atul; REDDY, Vantaddu, Nagarjuna; BISCHOFF, Alexander Patent: WO2010/127208 A1, 2010 ; Location in patent: Page/Page column 53 ;

Safety Information

Download SDS
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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2235
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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