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CS-W001157 4
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Methyl 4-borono-3-chlorobenzoate

  • CAS No. 603122-80-1

  • Cat. No. CS-W005393
  • Molecule weight214.41
  • Purity≥98%
  • MDL No.MFCD08689530

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

Methyl 4-borono-3-chlorobenzoate|CS-W005393

Structure of 603122-80-1

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General Information

  • CAS No. 603122-80-1
  • Cat. No. CS-W005393
  • Purity ≥98%
  • MDL No. MFCD08689530
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BClO₄
  • Molecular Weight 214.41
  • Synonym(s) 2-Chloro-4-methoxycarbonylphenylboronic acid
  • SMILES B(O)(O)C1=C(C=C(C(=O)OC)C=C1)Cl

Description

Methyl 4-borono-3-chlorobenzoate features a boronate ester paired with a chlorinated aromatic core, enabling robust Suzuki-Miyaura cross-coupling reactions. The electron-deficient aryl chloride facilitates efficient palladium-catalyzed transformations under standard conditions. This bench-stable reagent integrates seamlessly into complex molecule assembly workflows.

Application

Methyl 4-borono-3-chlorobenzoate serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. The boronic ester group exhibits excellent stability and functional group tolerance, while the chloro substituent facilitates palladium-catalyzed coupling with high chemoselectivity. This compound is particularly valuable for constructing substituted heterocycles and complex aromatic scaffolds in medicinal chemistry and materials science applications.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   -0.1936
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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