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CS-W001157 4
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Methyl 4-hydroxy-3-(trifluoromethyl)benzoate

  • CAS No. 115933-50-1

  • Cat. No. CS-W022854
  • Purity≥97%
  • MDL No.MFCD06204091

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

Methyl 4-hydroxy-3-(trifluoromethyl)benzoate|CS-W022854

Structure of 115933-50-1

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General Information

  • CAS No. 115933-50-1
  • Cat. No. CS-W022854
  • Purity ≥97%
  • MDL No. MFCD06204091
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₃
  • Molecular Weight 220.15
  • Synonym(s) Methyl 4-hydroxy-3-(trifluoromethyl)
  • SMILES O=C(OC)C1=CC=C(O)C(C(F)(F)F)=C1

Description

Methyl 4-hydroxy-3-(trifluoromethyl)benzoate features a trifluoromethyl group that enhances electron-withdrawing character and metabolic stability. The phenolic hydroxyl enables direct derivatization, while the methyl ester supports selective transformations. This compound serves as a key building block in bioactive molecule synthesis and is compatible with standard bench protocols.

Application

Methyl 4-hydroxy-3-(trifluoromethyl)benzoate serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl group. The trifluoromethyl moiety imparts enhanced metabolic stability and lipophilicity, while the ester functionality allows for selective derivatization. This compound exhibits good bench stability and facilitates efficient synthesis of bioactive heterocycles and API intermediates through standard coupling and cyclization protocols.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      4-Hydroxy-3-(trifluoromethyl)benzoic acid|CS-W006216
      220239-68-9
    • ~91%
    • In-stock
      Methyl 4-hydroxy-3-(trifluoromethyl)benzoate|CS-W022854
      115933-50-1

    References

    • HANMI HOLDINGS CO., LTD.; KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY; CATHOLIC UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION; SON, Jung Beom; JUNG, Seung Hyun; CHOI, Wha Il; JUNG, Young Hee; CHOI, Jae Yul; SONG, Ji Yeon; LEE, Kyu Hang; LEE, Jae Chul; KIM, Eun Young; AHN, Young Gil; KIM, Maeng Sup; CHOI, Hwan Geun; SIM, Tae Bo; HAM, Young Jin; PARK, Dong-sik; KIM, Hwan; KIM, Dong-Wook Patent: WO2011/93684 A2, 2011 ; Location in patent: Page/Page column 40 ; WO 2011/093684 A1
  • Route2

    References

    • Langlois, Bernard R.; Laurent, Eliane; Roidot, Nathalie Tetrahedron Letters, 1991 , vol. 32, # 51 p. 7525 - 7528
  • Route3

    References

    • US2012/184587 A1, ;

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   46.53
  • LogP   2.1976
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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