Description

3-Methyl-1H-pyrazole-4-boronic acid pinacol ester (CAS: 936250-20-3) is a high-purity boronic ester derivative widely used in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern synthetic organic chemistry. With the molecular formula C₁₀H₁₇BN₂O₂, this compound features a stable pinacol boronate group attached to a 3-methylpyrazole scaffold, offering excellent reactivity and selectivity in palladium-catalyzed transformations. It is supplied as a white to off-white crystalline solid with a purity of ≥97%, ensuring consistent performance in pharmaceutical, agrochemical, and materials science research. The product is rigorously tested by HPLC, NMR, and mass spectrometry to meet the stringent requirements of advanced synthetic applications. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

Properties

• CAS Number: 936250-20-3
• Complexity: 242
• IUPAC Name: 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• InChI: InChI=1S/C10H17BN2O2/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)
• InChI Key: MSJAEFFWTBMIKT-UHFFFAOYSA-N
• Exact Mass: 208.1383080
• Molecular Formula: C10H17BN2O2
• Molecular Weight: 208.07
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C
• Topological: 47.1
• Monoisotopic Mass: 208.1383080
• Synonyms: 3-Methyl-1H-pyrazole-4-boronic acid pinacol ester, 3-Methylpyrazole-4-boronic acid pinacol ester, 624-603-9, 936250-20-3, 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1430754-36-1, 3-METHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRAZOLE, 3-METHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER, MFCD08690235, 3-METHYL-4-PYRAZOLE BORONIC ACID PINACOL ESTER, 5-METHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER, 5-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, SCHEMBL140519, SCHEMBL782113, DTXSID50590401, MSJAEFFWTBMIKT-UHFFFAOYSA-N, (3-METHYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, BCP21842, BBL102010, MFCD10698991, SBB093972, STL555809, AKOS015960133, AKOS016015841, CS-W005192, GS-5719, PB12557, SY014616, methylpyrazole-4-boronic acid pinacol ester, 3-methyl-pyrazole-4-boronic acid pinacol ester, EN300-212613, O10133, 5-Methyl-1H-pyrazole-4-boronic acid, pinacol ester, 3-Methyl-1H-pyrazole-4-boronic acid pinacol ester, 97%, Z1509585905, (5-METHYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, 4,4,5,5-tetramethyl-2-(3-methylpyrazol-4-yl)-1,3,2-dioxaborolane, 5-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole

This boronic ester is primarily employed in Suzuki-Miyaura cross-coupling reactions to construct biaryl and heteroaryl compounds prevalent in drug discovery. It serves as a key intermediate in synthesizing kinase inhibitors and other bioactive molecules. The compound’s stability allows for use in multistep synthetic routes under both aqueous and anhydrous conditions. Researchers value its compatibility with diverse functional groups in complex molecular architectures.

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 (100%): 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 (100%)

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