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

Name: 4-Methyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Brand: ChemScene
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CAS No. 1492954-33-2
Cat. No. CS-0050812
Purity≥97%
MDL No.MFCD09837627

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4-Methyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-0050812

Structure of 1492954-33-2

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Description

This pyrazole derivative features a boronate ester group enabling efficient Suzuki-Miyaura coupling, paired with a bench-stable oxan-2-yl substituent that enhances solubility and stability. The methyl and tetramethyl-1,3,2-dioxaborolan-2-yl moieties facilitate selective functionalization in complex molecular architectures.

Application

4-Methyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole serves as a versatile boronate building block for Suzuki-Miyaura cross-coupling reactions. The tetramethylboronate group enables reliable C–C bond formation under mild conditions, while the oxan-2-yl and methyl substituents provide steric and electronic modulation. This compound exhibits good bench stability, facilitates purification by standard chromatography, and functions effectively in the construction of complex heterocyclic scaffolds and functionalized pyrazole derivatives used in medicinal chemistry.

General Information

CAS No. 1492954-33-2
Cat. No. CS-0050812
Purity ≥97%
MDL No. MFCD09837627
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₅BN₂O₃
Molecular Weight None
Synonym(s) 4-methyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole
SMILES CC1=C(B2OC(C)(C)C(C)(C)O2)N(N=C1)C1CCCCO1

Computational Chemistry Data

TPSA 45.51
LogP 2.18982
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Tetrahydropyran compounds

Key Words

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

CAS No. 1492954-33-2

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