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CS-W001157 4
Total: USD 88.00

(3-Chloro-5-(methoxycarbonyl)phenyl)boronic acid

  • CAS No. 957120-26-2

  • Cat. No. CS-0099814
  • Purity≥97%
  • MDL No.MFCD09475906

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

(3-Chloro-5-(methoxycarbonyl)phenyl)boronic acid|CS-0099814

Structure of 957120-26-2

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General Information

  • CAS No. 957120-26-2
  • Cat. No. CS-0099814
  • Purity ≥97%
  • MDL No. MFCD09475906
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BClO₄
  • Molecular Weight 214.41
  • Synonym(s) Methyl 3-borono-5-chlorobenzoate
  • SMILES OB(O)C1=CC(Cl)=CC(C(OC)=O)=C1

Description

This boronic acid features a chlorinated aryl ring paired with a methoxycarbonyl group, enabling selective coupling in Suzuki-Miyaura reactions. The ortho-chlorine facilitates downstream functionalization, while the boronic moiety offers high reactivity and bench-stable handling under standard conditions.

Application

(3-Chloro-5-(methoxycarbonyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The chloro and methoxycarbonyl groups provide orthogonal reactivity for downstream functionalization, while the boronic acid moiety offers excellent bench stability and compatibility with standard aqueous workups. Its predictable coupling behavior and ease of purification make it ideal for medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-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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