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CS-W001157 4
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2-[1-(Ethanesulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile

  • CAS No. 1919837-50-5

  • Cat. No. CS-0052095
  • Purity≥97%
  • MDL No.None

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

2-[1-(Ethanesulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile|CS-0052095

Structure of 1919837-50-5

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General Information

  • CAS No. 1919837-50-5
  • Cat. No. CS-0052095
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₅BN₄O₄S
  • Molecular Weight 380.27
  • Synonym(s) 3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
  • SMILES CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)B1OC(C)(C)C(C)(C)O1

Description

This boronate-functionalized azetidine integrates a moisture-tolerant tetramethylborolane group with a nitrile-bearing ethanesulfonyl moiety, enabling efficient Suzuki-Miyaura coupling under standard conditions. The pyrazole-bridged scaffold offers enhanced metabolic stability and solubility for medicinal chemistry applications.

Application

This boron-containing azetidine derivative serves as a versatile building block for Suzuki-Miyaura coupling reactions, enabling efficient construction of complex pyrazole-functionalized scaffolds. The ethanesulfonyl and acetonitrile groups confer enhanced stability and favorable solubility, while the tetramethyl-1,3,2-dioxaborolane moiety facilitates robust cross-coupling under standard conditions. Ideal for medicinal chemistry applications requiring modular heterocycle integration.

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   97.45
  • LogP   0.45658
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   5

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