[5-Methyl-1-(oxan-2-yl)-1H-indazol-4-yl]boronic acid

Name: [5-Methyl-1-(oxan-2-yl)-1H-indazol-4-yl]boronic acid
Brand: ChemScene
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CAS No. 2022976-34-5
Cat. No. CS-0056167
Purity≥98%
MDL No.None

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[5-Methyl-1-(oxan-2-yl)-1H-indazol-4-yl]boronic acid|CS-0056167

Structure of 2022976-34-5

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Description

This boronate moiety integrates a methyl-substituted indazolyl scaffold with a sterically accessible oxan-2-yl group, enabling efficient coupling under standard conditions. The pendant boronic acid offers enhanced stability and solubility in polar media, facilitating direct use in Suzuki-Miyaura cross-coupling reactions without requiring derivatization.

Application

[5-Methyl-1-(oxan-2-yl)-1H-indazol-4-yl]boronic acid serves as a versatile building block for Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds in medicinal chemistry. The oxan-2-yl group enhances solubility and stability, while the boronic acid functionality exhibits excellent functional group tolerance and reliable reactivity under standard coupling conditions. Its bench-stable nature facilitates handling and purification, making it well-suited for scalable synthesis and library generation.

General Information

CAS No. 2022976-34-5
Cat. No. CS-0056167
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₇BN₂O₃
Molecular Weight 260.10
Synonym(s) (5-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-4-yl)boronic acid
SMILES CC1=C(B(O)O)C2=C(N(C3OCCCC3)N=C2)C=C1

Computational Chemistry Data

TPSA 67.51
LogP 0.72362
H_Acceptors 5
H_Donors 2
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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Tetrahydropyran compounds

Key Words

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[5-Methyl-1-(oxan-2-yl)-1H-indazol-4-yl]boronic acid

CAS No. 2022976-34-5

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