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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-(hydroxymethyl)phenol

  • CAS No. 96740-92-0

  • Cat. No. CS-0097973
  • Purity≥98%
  • MDL No.MFCD06797932

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

3-Fluoro-4-(hydroxymethyl)phenol|CS-0097973

Structure of 96740-92-0

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General Information

  • CAS No. 96740-92-0
  • Cat. No. CS-0097973
  • Purity ≥98%
  • MDL No. MFCD06797932
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FO₂
  • Molecular Weight 142.13
  • Synonym(s) 2-fluoro-4-hydroxybenzyl alcohol
  • SMILES OC1=CC=C(C(F)=C1)CO

Description

3-Fluoro-4-(hydroxymethyl)phenol features a strategically positioned hydroxymethyl group adjacent to a fluorine-substituted aromatic ring, enabling selective functionalization in medicinal chemistry. The phenolic hydroxyl and aldehyde-tethered methylene moiety facilitate derivatization under mild conditions, supporting applications in bioconjugation and targeted drug delivery platforms.

Application

3-Fluoro-4-(hydroxymethyl)phenol serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl and ortho-fluoro positions. Its stability under standard reaction conditions facilitates selective derivatization, including etherification, esterification, and transition-metal-catalyzed coupling reactions. The hydroxymethyl group provides a handle for further elaboration into complex scaffolds, while the fluorine substituent enhances metabolic stability and modulates electronic properties—key attributes in API development.

Synthesis

  • Route1

    References

    • Svensson, Anette; Bergquist, Karl-Erik; Fex, Tomas; Kihlberg, Jan Tetrahedron Letters, 1998 , vol. 39, # 39 p. 7193 - 7196
  • Route2

    References

    • Shi, Qinghua; Lee, Yeon-Ju; Song, Hongrui; Cheng, Maosheng; Jew, Sang-Sup; Park, Hyeung-Geun; Jeong, Byeong-Seon Chemistry Letters, 2008 , vol. 37, # 4 p. 436 - 437
  • Route3

    References

    • Woo, L. W. Lawrence; Wood, Paul M.; Bubert, Christian; Thomas, Mark P.; Purohit, Atul; Potter, Barry V. L. ChemMedChem, 2013 , vol. 8, # 5 p. 779 - 799

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

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   1.0236
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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