Description

(1-methyl-1H-pyrazol-5-yl)boronic acid (CAS No. 720702-41-0) is a high-purity boronic acid derivative with the molecular formula C₄H₇BN₂O₂, widely used in Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed processes. This compound, also known by its IUPAC name (2-methylpyrazol-3-yl)boronic acid, is a versatile building block in pharmaceutical, agrochemical, and materials science research. It is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal reactivity for synthetic applications. The product is rigorously tested for moisture content, heavy metals, and residual solvents to meet the stringent requirements of modern organic synthesis. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 720702-41-0
• Complexity: 101
• IUPAC Name: (2-methylpyrazol-3-yl)boronic acid
• InChI: InChI=1S/C4H7BN2O2/c1-7-4(5(8)9)2-3-6-7/h2-3,8-9H,1H3
• InChI Key: MGNBKNBEZGLHNF-UHFFFAOYSA-N
• Exact Mass: 126.0600576
• Molecular Formula: C4H7BN2O2
• Molecular Weight: 125.92
• SMILES: B(C1=CC=NN1C)(O)O
• Topological: 58.3
• Monoisotopic Mass: 126.0600576
• Synonyms: 720702-41-0, (1-methyl-1H-pyrazol-5-yl)boronic acid, DTXSID90457847, DTXCID80408666, 690-697-3, 1-METHYL-1H-PYRAZOLE-5-BORONIC ACID, (1-Methyl-1H-pyrazol-5-yl)-boronic acid, 1-Methylpyrazole-5-boronic acid, 1-METHYL-1H-PYRAZOL-5-YLBORONIC ACID, (2-methylpyrazol-3-yl)boronic Acid, Boronic acid, (1-methyl-1H-pyrazol-5-yl)-, MFCD11053031, 1-Methyl-pyrazole-5-boronic acid, 1-Methyl-1H-pyrazol-5-yl-5-boronic acid, 2-METHYL-2H-PYRAZOLE-3-BORONIC ACID, SCHEMBL323237, 1-methyl pyrazole-5-boronic acid, MGNBKNBEZGLHNF-UHFFFAOYSA-N, BCP12521, CS-D0545, SBB073471, STL414913, 2-methyl-2H-pyrazol-3-ylboronic acid, AKOS003585316, GS-6612, PB17790, (1-methyl-1H-pyrazol-5-yl)boronicacid, AC-27322, SY031551, (1-methyl-1H-pyrazol-5-yl) boronic acid, DB-013498, M2680, ST45255688, EN300-92463, F8880-4455

Application

(1-methyl-1H-pyrazol-5-yl)boronic acid is a key intermediate in the synthesis of biologically active pyrazole derivatives through palladium-catalyzed cross-coupling reactions. It is particularly valuable in medicinal chemistry for constructing heterocyclic scaffolds found in kinase inhibitors and GPCR modulators. The compound also finds use in materials science for developing functionalized polymers and metal-organic frameworks (MOFs). Its stability and reactivity make it ideal for automated parallel synthesis and high-throughput screening applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (80%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.