Description

5-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-tetrazole (CAS No. 775351-40-1) is a high-purity boronic ester derivative featuring a tetrazole functional group, designed for advanced research and synthetic applications. With the molecular formula C₁₃H₁₇BN₄O₂, this compound serves as a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. The tetrazole moiety enhances its utility in medicinal chemistry and material science, while the boronic ester group ensures stability and reactivity under controlled conditions. Ideal for pharmaceutical intermediates, ligand design, and polymer chemistry, this product is rigorously tested for quality and consistency, ensuring reliable performance in sensitive applications. Available in various quantities to meet both research and bulk synthesis needs.

Properties

• CAS Number: 775351-40-1
• Complexity: 342
• IUPAC Name: 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-tetrazole
• InChI: InChI=1S/C13H17BN4O2/c1-12(2)13(3,4)20-14(19-12)10-7-5-9(6-8-10)11-15-17-18-16-11/h5-8H,1-4H3,(H,15,16,17,18)
• InChI Key: ONAVJWUKLJDJAI-UHFFFAOYSA-N
• Exact Mass: 272.1444560
• Molecular Formula: C13H17BN4O2
• Molecular Weight: 272.11
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NNN=N3
• Topological: 72.9
• Monoisotopic Mass: 272.1444560
• Synonyms: 775351-40-1, 5-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2H-tetrazole, 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-tetrazole, DTXSID40671293, DTXCID80622042, 4-(1H-TETRAZOL-5-YL)BENZENE-1-BORONIC ACID PINACOL ESTER, (4-(1H-TETRAZOL-5-YL)PHENYL)BORONIC ACID PINACOL ESTER, MFCD12761127, 2H-TETRAZOLE, 5-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]-, 4-(2H-Tetrazol-5-yl)benzeneboronic acid pinacol ester, 5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-tetrazole, 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1h-tetrazole, 4-(2H-Tetrazol-5-yl)phenylboronic Acid Pinacol Ester, SCHEMBL2382262, SCHEMBL13276827, 5-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-1,2,3,4-tetrazole, AKOS015944504, AKOS015949304, PB24329, AS-33586, SY027325, CS-0051208, EN300-7423134

Application

This compound is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions for the synthesis of biaryl structures. Its tetrazole group makes it valuable in medicinal chemistry for designing bioactive molecules and drug candidates. Additionally, it serves as a precursor in the development of advanced materials, including polymers and ligands for catalysis. Researchers also utilize it in the study of boron-containing compounds for their unique electronic and structural properties.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P316, P321, P330, P405, and P501

Hazard Classes and Categories

• Acute Tox. 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.