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CS-W001157 4
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Methyl 4-fluoro-2,6-dimethylbenzoate

  • CAS No. 14659-60-0

  • Cat. No. CS-0098661
  • Purity≥98%
  • MDL No.MFCD06203803

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

Methyl 4-fluoro-2,6-dimethylbenzoate|CS-0098661

Structure of 14659-60-0

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General Information

  • CAS No. 14659-60-0
  • Cat. No. CS-0098661
  • Purity ≥98%
  • MDL No. MFCD06203803
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁FO₂
  • Molecular Weight 182.19
  • Synonym(s) Benzoic acid,4-fluoro-2,6-dimethyl-, methyl ester
  • SMILES O=C(C1=C(C=C(C=C1C)F)C)OC

Description

Methyl 4-fluoro-2,6-dimethylbenzoate features a fluorinated aromatic core with strategically positioned methyl groups that enhance lipophilicity and metabolic stability. This electron-deficient ester serves as a key intermediate in medicinal chemistry, enabling direct incorporation into bioactive scaffolds through cross-coupling or nucleophilic substitution reactions under standard conditions.

Application

Methyl 4-fluoro-2,6-dimethylbenzoate serves as a versatile building block in synthetic organic chemistry, offering a trifunctional scaffold for further derivatization. The methyl ester enables straightforward hydrolysis or reduction, while the ortho-methyl groups provide steric protection and enhanced stability. The meta-fluorine substituent facilitates nucleophilic aromatic substitution or transition-metal-catalyzed coupling reactions, making this compound well-suited for medicinal chemistry campaigns and heterocycle synthesis.

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   26.3
  • LogP   2.22914
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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