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CS-W001157 4
Total: USD 88.00

(4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid

  • CAS No. 944129-07-1

  • Cat. No. CS-0129362
  • Purity≥98%
  • MDL No.MFCD17015742

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

(4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid|CS-0129362

Structure of 944129-07-1

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General Information

  • CAS No. 944129-07-1
  • Cat. No. CS-0129362
  • Purity ≥98%
  • MDL No. MFCD17015742
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇BClFO₃
  • Molecular Weight 204.39
  • Synonym(s) 4-Chloro-2-fluoro-3-methoxyphenylboronic acid
  • SMILES COC1=C(F)C(B(O)O)=CC=C1Cl

Description

This boronic acid features a trifunctional aryl scaffold with chlorine, fluorine, and methoxy groups positioned ortho to the boronate moiety. The electron-withdrawing halogens enhance reactivity in Suzuki-Miyaura coupling, while the methoxy group improves solubility and stability under standard conditions.

Application

(4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid serves as a versatile building block in palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. Its orthogonal reactivity profile—retaining stable C–Cl, C–F, and C–OMe functionalities—facilitates downstream functionalization. The boronic acid moiety offers excellent bench stability, ease of purification, and compatibility with standard Suzuki-Miyaura coupling conditions, making it ideal for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • DOW AGROSCIENCES LLC; OPPENHEIMER, Jossian Patent: WO2013/16557 A2, 2013 ; Location in patent: Page/Page column 12 ;
  • Route2
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      1426539-30-1
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    • In-stock
      (4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid|CS-0129362
      944129-07-1

    References

    • DOW AGROSCIENCES LLC; Emonds, Mark V. M.; Menning, Catherine A.; Blaylock, D. Wayne Patent: US2013/66115 A1, 2013 ; Location in patent: Paragraph 0045 ;
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      121-43-7
    • In-stock
      2-Chloro-6-fluoroanisole|CS-W013269
      53145-38-3
    • ~%
    • In-stock
      (4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid|CS-0129362
      944129-07-1

    References

    • DOW AGROSCIENCES LLC; OPPENHEIMER, Jossian; EMONDS, Mark V.M.; DERSTINE, Christopher W.; CLOUSE, Robert C. Patent: WO2013/102078 A1, 2013 ; Location in patent: Page/Page column 15 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   49.69
  • LogP   0.1675
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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