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CS-W001157 4
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1,3,2-Dioxaborolane, 2-(3-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-

  • CAS No. 1417301-67-7

  • Cat. No. CS-0029501
  • Purity≥97%
  • MDL No.None

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

1,3,2-Dioxaborolane, 2-(3-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-|CS-0029501

Structure of 1417301-67-7

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General Information

  • CAS No. 1417301-67-7
  • Cat. No. CS-0029501
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈BFO₃
  • Molecular Weight 252.09
  • Synonym(s) None
  • SMILES CC1(C)C(C)(C)OB(C2=CC=CC(F)=C2OC)O1

Description

This boronate ester features a 3-fluoro-2-methoxyphenyl moiety integrated with a stable tetramethyl-1,3,2-dioxaborolane core. It delivers enhanced reactivity in Suzuki-Miyaura couplings under standard conditions, offering improved functional group tolerance and robustness during handling.

Application

2-(3-Fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. The ortho-methoxy and meta-fluoro substituents provide predictable regioselectivity and enhanced functional group tolerance, enabling efficient construction of complex biaryl architectures. Its tetramethyl-substituted dioxaborolane core ensures high chemical stability, minimal protodeboronation, and straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

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   27.69
  • LogP   2.1335
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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