Description

3,5-Dimethylpyrazole-4-boronic acid, pinacol ester (CAS No. 857530-80-4) is a high-purity boronic ester derivative with the molecular formula C₁₁H₁₉BN₂O₂. This compound, also known by its IUPAC name 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, is a versatile building block in organic synthesis and pharmaceutical research. The pinacol ester group enhances stability and reactivity, making it ideal for Suzuki-Miyaura cross-coupling reactions. With a purity of ≥95%, this product is rigorously tested via NMR, HPLC, and MS to ensure consistency and performance. Suitable for use in drug discovery, material science, and catalysis, it is supplied in sealed packaging under inert conditions to maintain integrity.

Properties

• CAS Number: 857530-80-4
• Complexity: 267
• IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• InChI: InChI=1S/C11H19BN2O2/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3,(H,13,14)
• InChI Key: GNUDAJTUCJEBEI-UHFFFAOYSA-N
• Exact Mass: 222.1539580
• Molecular Formula: C11H19BN2O2
• Molecular Weight: 222.09
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2C)C
• Topological: 47.1
• Monoisotopic Mass: 222.1539580
• Synonyms: 3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER, 695-017-9, 857530-80-4, 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 3,5-Dimethylpyrazole-4-boronic acid pinacol ester, MFCD05663852, 3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID,PINACOL ESTER, 3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 3,5-Dimethyl-4-pyrazoleboronic acid pinacol ester, SCHEMBL113781, 3,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester, DTXSID80584510, GNUDAJTUCJEBEI-UHFFFAOYSA-N, (3,5-DIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, BCP12566, SBB096250, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole, AKOS015894402, AB21953, CS-W004017, GS-6625, NCGC00662926-01, SY025024, EN300-208833, 3,5-Dimethylpyrazole-4-boronic acid pinacol ester, 97%, Z1696846954, 2-(3,5-dimethylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazole, 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1 H-pyrazole, 3 pound not5-Dimethyl-4-(4 pound not4 pound not5 pound not5-tetramethyl-1 pound not3 pound not2-dioxaborolan-2-yl)-1H-pyrazole

Application

3,5-Dimethylpyrazole-4-boronic acid, pinacol ester is widely used in Suzuki-Miyaura cross-coupling reactions to construct biaryl and heteroaryl scaffolds in medicinal chemistry. It serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and functional materials. Researchers leverage its stability and reactivity for selective C-C bond formation under mild conditions. The compound is also employed in the development of boron-containing probes for biochemical studies.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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