Description

3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid, pinacol ester (CAS No. 1218790-40-9) is a high-purity boronic ester derivative designed for advanced synthetic applications in pharmaceutical and materials research. This compound, with the molecular formula C₁₀H₁₄BF₃N₂O₂, features a stable pinacol boronate group and a reactive trifluoromethyl-pyrazole scaffold, making it an ideal building block for Suzuki-Miyaura cross-coupling reactions. Its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the boronic ester moiety ensures compatibility with a wide range of coupling partners. Packaged under inert conditions to maintain stability, this reagent is rigorously tested for quality (≥95% purity by HPLC) and is available in various quantities to suit laboratory-scale and process chemistry needs.

Properties

• CAS Number: 1218790-40-9
• Complexity: 320
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
• InChI: InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)
• InChI Key: WHYPQJYBTNZKBY-UHFFFAOYSA-N
• Exact Mass: 262.1100423
• Molecular Formula: C10H14BF3N2O2
• Molecular Weight: 262.04
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C(F)(F)F
• Topological: 47.1
• Monoisotopic Mass: 262.1100423
• Synonyms: 3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid, pinacol ester, 694-050-6, 1218790-40-9, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole, 3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid pinacol ester, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole, 1H-Pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-, 4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE, [3-(Trifluoromethyl)-1H-pyrazol-4-yl]boronic Acid Pinacol Ester, MFCD11501039, (3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, SCHEMBL1159688, SCHEMBL19611703, 3-(Trifluoromethyl)pyrazole-4-boronic Acid Pinacol Ester, DTXSID70672879, 3-Trifluoromethyl-1H-pyrazole-4-boronic acid, pinacol ester, SBB102480, AKOS015960287, SB12184, AS-35834, SY031088, DB-347734, EN300-396045, Z2044812081, 3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester, 97%, 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)pyrazol-4-yl]-1,3,2-dioxaborolane, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3-trifluoromethyl-1H-pyrazole

Application

This compound is widely used as a key intermediate in the synthesis of trifluoromethyl-substituted heterocycles, which are prevalent in agrochemicals and pharmaceuticals. It is particularly valuable in Suzuki-Miyaura cross-coupling reactions to construct biaryl or heteroaryl systems with enhanced electronic properties. Researchers also employ it in the development of PET radiotracers and bioactive molecules due to its trifluoromethyl group’s ability to modulate pharmacokinetics.

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.