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CS-W001157 4
Total: USD 88.00

1-Cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

  • CAS No. 1175275-00-9

  • Cat. No. CS-W021320
  • Purity≥96%
  • MDL No.MFCD16659787

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

1-Cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-W021320

Structure of 1175275-00-9

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General Information

  • CAS No. 1175275-00-9
  • Cat. No. CS-W021320
  • Purity ≥96%
  • MDL No. MFCD16659787
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₅BN₂O₂
  • Molecular Weight 276.18
  • Synonym(s) None
  • SMILES CC1(C)C(C)(C)OB(C2=CN(C3CCCCC3)N=C2)O1

Description

1-Cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole features a stable boronate ester group enabling efficient Suzuki-Miyaura cross-coupling reactions. The cyclohexyl substituent imparts favorable solubility and steric profile, enhancing reactivity in diverse synthetic transformations. This compound serves as a robust building block for complex heterocyclic architectures in medicinal chemistry and materials science.

Application

1-Cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. The pyrazole core provides orthogonal reactivity and metabolic stability, while the pinacol boronate moiety enables efficient coupling with aryl and heteroaryl halides under mild conditions. Its high functional group tolerance and ease of purification make it well-suited for fragment-based drug discovery and late-stage diversification in medicinal chemistry 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   36.28
  • LogP   2.6875
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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