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CS-W001157 4
Total: USD 88.00

4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

  • CAS No. 1398923-95-9

  • Cat. No. CS-0041657
  • Purity≥98%
  • MDL No.None

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

4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol|CS-0041657

Structure of 1398923-95-9

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General Information

  • CAS No. 1398923-95-9
  • Cat. No. CS-0041657
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆BFO₃
  • Molecular Weight 238.06
  • Synonym(s) 2-Fluoro-5-hydroxyphenylboronic acid, pinacol ester(WS202800)
  • SMILES OC1=CC=C(F)C(B2OC(C)(C)C(C)(C)O2)=C1

Description

4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol features a boronate ester group that enables efficient Suzuki-Miyaura coupling under mild conditions. The para-fluorine substituent enhances electrophilicity and improves metabolic stability in downstream applications. This bench-stable reagent integrates seamlessly into complex molecule synthesis workflows.

Application

4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol serves as a versatile boronate building block in Suzuki-Miyaura cross-coupling reactions. Its ortho-fluorinated aryl structure enables selective functionalization, while the pinacol boronate group offers excellent bench stability, ease of handling, and compatibility with diverse reaction conditions. The compound facilitates efficient C–C bond formation under mild catalytic systems, making it a reliable reagent for constructing 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   38.69
  • LogP   1.8305
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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