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tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate

  • CAS No. 1006875-83-7

  • Cat. No. CS-0037664
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate|CS-0037664

Structure of 1006875-83-7

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General Information

  • CAS No. 1006875-83-7
  • Cat. No. CS-0037664
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₅BN₂O₄
  • Molecular Weight 308.18
  • Synonym(s) tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
  • SMILES O=C(OC(C)(C)C)CN1N=CC(B2OC(C)(C)C(C)(C)O2)=C1

Description

tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate features a boronate ester group enabling reliable Suzuki-Miyaura coupling under mild conditions. The pyrazole core provides a rigid, electron-rich scaffold ideal for bioactive molecule synthesis. This bench-stable reagent integrates seamlessly into iterative cross-coupling strategies and delivers high functional group tolerance in complex molecular architectures.

Application

tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate serves as a versatile boron-containing building block for palladium-catalyzed cross-coupling reactions. The pyrazole moiety enables access to biologically relevant heterocyclic scaffolds, while the tert-butyl ester provides stability and ease of purification. Its compatibility with diverse reaction conditions and robust bench stability make it ideal for iterative synthesis in medicinal chemistry and process development workflows.

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   62.58
  • LogP   1.524
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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