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Methyl 5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

  • CAS No. 1084953-16-1

  • Cat. No. CS-0175506
  • Purity≥97%
  • MDL No.None

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

Methyl 5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0175506

Structure of 1084953-16-1

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General Information

  • CAS No. 1084953-16-1
  • Cat. No. CS-0175506
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀BFO₅
  • Molecular Weight 310.13
  • Synonym(s) 5-fluoro-2-Methoxy-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
  • SMILES CC1(C(C)(OB(O1)C2=C(F)C=C(C(OC)=O)C(OC)=C2)C)C

Description

Methyl 5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is a bench-stable boronate ester featuring a fluorinated aryl core and methoxy substitution. This reagent enables efficient Suzuki-Miyaura coupling under standard conditions, delivering functionalized heteroaryl scaffolds with predictable regiochemistry and enhanced solubility in common organic solvents.

Application

Methyl 5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate serves as a versatile boron building block for Suzuki-Miyaura cross-coupling reactions. The boronate ester functionality enables reliable C–C bond formation under mild conditions, while the fluorine and methoxy groups provide orthogonal reactivity and stability. Bench-stable and easily purified, it facilitates efficient construction of substituted biaryl and heteroaryl scaffolds in medicinal chemistry and materials synthesis.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   53.99
  • LogP   1.9201
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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