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CS-W001157 4
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4-Fluoro-2,3-dimethylphenol

  • CAS No. 77249-34-4

  • Cat. No. CS-0061161
  • Purity≥98%
  • MDL No.None

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

4-Fluoro-2,3-dimethylphenol|CS-0061161

Structure of 77249-34-4

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General Information

  • CAS No. 77249-34-4
  • Cat. No. CS-0061161
  • Purity ≥98%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉FO
  • Molecular Weight 140.15
  • Synonym(s) Phenol, 4-fluoro-2,3-dimethyl-
  • SMILES CC1=C(C)C(=CC=C1F)O

Description

4-Fluoro-2,3-dimethylphenol features a fluorine atom at the para position relative to the phenolic hydroxyl, combined with methyl groups at adjacent ortho positions. This substitution pattern imparts enhanced lipophilicity and metabolic stability, making it valuable for medicinal chemistry applications. The compound exhibits improved solubility in organic solvents and maintains bench-stable performance under standard conditions.

Application

4-Fluoro-2,3-dimethylphenol serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds through standard electrophilic substitution and coupling reactions. Its ortho-methyl groups provide steric control and enhance metabolic stability, while the phenolic hydroxyl facilitates derivatization via etherification or esterification. The molecule exhibits good bench stability and compatibility with common protecting group strategies, making it suitable for multi-step synthesis workflows.

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   20.23
  • LogP   2.14814
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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