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CS-W001157 4
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2-(Isochroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • CAS No. 2082683-70-1

  • Cat. No. CS-0368907
  • Purity≥95%
  • MDL No.MFCD18205679

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

2-(Isochroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0368907

Structure of 2082683-70-1

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General Information

  • CAS No. 2082683-70-1
  • Cat. No. CS-0368907
  • Purity ≥95%
  • MDL No. MFCD18205679
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₁BO₃
  • Molecular Weight None
  • Synonym(s) 2-(3,4-dihydro-1H-2-benzopyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • SMILES CC1(C)C(C)(C)OB(C2=CC=C3C(CCOC3)=C2)O1

Description

This boronate ester features a rigid isochroman-6-yl scaffold that enhances stability and modulates reactivity. The tetramethyl-substituted dioxaborolane ring ensures excellent shelf life and compatibility with Suzuki-Miyaura cross-coupling protocols under standard conditions. Ideal for constructing complex aromatic architectures in medicinal chemistry and materials science.

Application

2-(Isochroman-6-yl)-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 isochroman scaffold provides a rigid, pharmacologically relevant core with excellent functional group tolerance and compatibility with diverse reaction conditions. Its tetramethyl-substituted dioxaborolane moiety enhances stability and facilitates straightforward purification, making it ideal for iterative synthesis of complex heterocyclic architectures 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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   27.69
  • LogP   2.0585
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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