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CS-W001157 4
Total: USD 88.00

2-(4-Chlorophenethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • CAS No. 444094-88-6

  • Cat. No. CS-0175740
  • Purity≥98%
  • MDL No.None

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

2-(4-Chlorophenethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0175740

Structure of 444094-88-6

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General Information

  • CAS No. 444094-88-6
  • Cat. No. CS-0175740
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀BClO₂
  • Molecular Weight 266.57
  • Synonym(s) 2-(4-Chlorophenyl)ethylboronic
  • SMILES CC1(C(C)(OB(O1)CCC2=CC=C(Cl)C=C2)C)C

Description

This boronate ester features a 4-chlorophenethyl group attached to a stable tetramethyl-1,3,2-dioxaborolane core. It integrates readily into Suzuki-Miyaura coupling reactions under standard conditions, offering reliable performance with minimal decomposition. The electron-deficient aryl chloride moiety enhances reactivity in palladium-catalyzed transformations.

Application

2-(4-Chlorophenethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane serves as a stable, bench-friendly boron building block for Suzuki-Miyaura cross-coupling reactions. The chlorophenethyl moiety enables direct functionalization of aromatic systems with high chemoselectivity and excellent tolerance to diverse reaction conditions. Its tetramethyl-substituted dioxaborolane core ensures low hydrolytic sensitivity and ease of purification, making it ideal for iterative synthesis workflows in medicinal chemistry and process development.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   3.9747
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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