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CS-W001157 4
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3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid

  • CAS No. 1191063-90-7

  • Cat. No. CS-0174041
  • Molecule weight200.04
  • Purity≥97%
  • MDL No.None

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

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid|CS-0174041

Structure of 1191063-90-7

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General Information

  • CAS No. 1191063-90-7
  • Cat. No. CS-0174041
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₇BO₄
  • Molecular Weight 200.04
  • Synonym(s) 2-Carboxyethylboronic acid, pinacol ester
  • SMILES CC1(C(C)(OB(O1)CCC(O)=O)C)C

Description

This boronate ester integrates a carboxylic acid handle for direct conjugation, enabling efficient Suzuki-Miyaura coupling under standard conditions. The tetramethyl-dioxaborolane moiety provides exceptional stability and moisture tolerance, simplifying handling and storage. Ideal for bioconjugation and probe synthesis.

Application

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. Its carboxylic acid functionality enables direct incorporation into bioactive molecules and heterocyclic scaffolds. The tetramethyl-substituted dioxaborolane enhances air stability and minimizes protodeboronation, facilitating reliable coupling with aryl, vinyl, and heteroaryl halides under standard conditions. Ideal for medicinal chemistry campaigns requiring efficient C–C bond formation and orthogonal functional group handling.

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

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   1.5533
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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