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CS-W001157 4
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1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanol

  • CAS No. 1398331-98-0

  • Cat. No. CS-0139631
  • Purity≥97%
  • MDL No.None

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

1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanol|CS-0139631

Structure of 1398331-98-0

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General Information

  • CAS No. 1398331-98-0
  • Cat. No. CS-0139631
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₃BO₃
  • Molecular Weight 274.16
  • Synonym(s) 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutanol
  • SMILES OC1(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CCC1

Description

1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanol is a boronate ester featuring a cyclobutanol moiety linked via a phenylene bridge. This compound integrates a stable, bench-stable boronate group with a strained cyclic alcohol, enabling efficient cross-coupling reactions in C–C bond formation. Its moisture-tolerant dioxaborolane functionality supports reliable performance under standard conditions.

Application

1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanol serves as a versatile boronate ester building block for Suzuki-Miyaura cross-coupling reactions. The cyclobutanol moiety provides a rigid, sterically defined scaffold with moderate polarity, enhancing solubility and facilitating purification. Bench-stable and tolerant of common functional groups, it enables efficient construction of biaryl 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   38.69
  • LogP   2.3573
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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