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CS-W001157 4
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Methyl 2-Fluoro-6-methylbenzoate

  • CAS No. 197516-57-7

  • Cat. No. CS-0145043
  • Molecule weight168.16
  • Purity≥98%
  • MDL No.None

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

Methyl 2-Fluoro-6-methylbenzoate|CS-0145043

Structure of 197516-57-7

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General Information

  • CAS No. 197516-57-7
  • Cat. No. CS-0145043
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₂
  • Molecular Weight 168.16
  • Synonym(s) Benzoic acid,2-fluoro-6-methyl-,methyl ester
  • SMILES O=C(OC)C1=C(C)C=CC=C1F

Description

Methyl 2-Fluoro-6-methylbenzoate features a fluorinated aromatic ring with ortho-fluorine and para-methyl substituents, delivering enhanced electron-withdrawing character and improved metabolic stability. This bench-stable ester integrates readily into synthetic routes requiring polarizable, sterically accessible aryl motifs.

Application

Methyl 2-fluoro-6-methylbenzoate serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the ortho position relative to the ester group. Its fluorine substituent enhances metabolic stability and modulates electronic properties, while the methyl group provides a handle for further oxidation or substitution. The compound exhibits excellent bench stability, facilitates straightforward purification by distillation or chromatography, and participates reliably in palladium-catalyzed cross-coupling reactions, making it a practical choice for constructing complex aromatic scaffolds in API development.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.92072
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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