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Methyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate

  • CAS No. 1093307-33-5

  • Cat. No. CS-0163779
  • Purity≥95%
  • MDL No.MFCD16660987

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

Methyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate|CS-0163779

Structure of 1093307-33-5

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General Information

  • CAS No. 1093307-33-5
  • Cat. No. CS-0163779
  • Purity ≥95%
  • MDL No. MFCD16660987
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₁BN₂O₄
  • Molecular Weight 280.13
  • Synonym(s) Methyl 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanonate
  • SMILES O=C(OC)CCN1N=CC(B2OC(C)(C)C(C)(C)O2)=C1

Description

Methyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate is a boronate-functionalized pyrazole derivative designed for efficient Suzuki-Miyaura cross-coupling reactions. This bench-stable reagent integrates readily into diverse molecular architectures, offering high functional group tolerance and reliable coupling performance under standard conditions.

Application

Methyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate serves as a versatile boron building block for Suzuki-Miyaura cross-coupling reactions. The pyrazole moiety provides robust stability and orthogonal reactivity, while the ester group enables further functionalization. Bench-stable and compatible with diverse reaction conditions, it facilitates efficient construction of biologically relevant heterocyclic scaffolds and conjugated systems in medicinal chemistry and materials science applications.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   62.58
  • LogP   0.7454
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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