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CS-W001157 4
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2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

  • CAS No. 1003858-50-1

  • Cat. No. CS-0698625
  • Molecule weight220.07
  • Purity≥98%
  • MDL No.None

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

2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane|CS-0698625

Structure of 1003858-50-1

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General Information

  • CAS No. 1003858-50-1
  • Cat. No. CS-0698625
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇BO₃
  • Molecular Weight 220.07
  • Synonym(s) None
  • SMILES COC1=CC=CC(=C1)B1OCC(C)(C)CO1

Description

This boronate ester features a methoxy-substituted phenyl group linked to a sterically shielded dioxaborinane core, enabling stable coupling in Suzuki-Miyaura reactions. The electron-donating methoxy moiety enhances reactivity while the dimethyl substitution improves hydrolytic stability and shelf life under standard conditions.

Application

2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane serves as a stable, bench-ready boron building block for Suzuki-Miyaura cross-coupling reactions. Its ortho-methoxy substituent enhances solubility and modulates reactivity, while the dioxaborinane core provides excellent functional group tolerance and compatibility with diverse reaction conditions. This reagent facilitates efficient construction of biaryl scaffolds in medicinal chemistry and materials synthesis.

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   1.4634
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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