Description

2-(1,3,2-Dioxaborinan-2-yl)benzonitrile (CAS No. 172732-52-4) is a highly specialized boronic ester derivative with the molecular formula C₁₀H₁₀BNO₂. This compound features a benzonitrile moiety tethered to a 1,3,2-dioxaborinane ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structure enables versatile reactivity, particularly in Suzuki-Miyaura cross-coupling reactions, where it acts as a boron-based coupling partner. The compound is supplied as a high-purity solid, rigorously tested for consistency and quality, ensuring optimal performance in sensitive applications. Ideal for researchers in medicinal chemistry, materials science, and catalysis, this reagent is packaged under inert conditions to maintain stability and shelf life.

Properties

• CAS Number: 172732-52-4
• Complexity: 232
• IUPAC Name: 2-(1,3,2-dioxaborinan-2-yl)benzonitrile
• InChI: InChI=1S/C10H10BNO2/c12-8-9-4-1-2-5-10(9)11-13-6-3-7-14-11/h1-2,4-5H,3,6-7H2
• InChI Key: REQZFVYFYAZUMG-UHFFFAOYSA-N
• Exact Mass: 187.0804587
• Molecular Formula: C10H10BNO2
• Molecular Weight: 187.00
• SMILES: B1(OCCCO1)C2=CC=CC=C2C#N
• Topological: 42.3
• Monoisotopic Mass: 187.0804587
• Synonyms: 172732-52-4, 2-(1,3,2-dioxaborinan-2-yl)benzonitrile, 2-Cyanophenylboronic acid 1,3-propanediol ester, Benzonitrile, 2-(1,3,2-dioxaborinan-2-yl)-, 2-(2-Cyanophenyl)-1,3,2-dioxaborinane, MFCD04039012, 2-CYANOPHENYLBORONIC ACID, 1,3-PROPANEDIOL CYCLIC ESTER, 2-Cyanophenylboronic acid propanediol ester, 2-(1,3,2-Dioxaborinan-2-yl)benzonitrile;, 2-CYANOBENZENEBORONIC ACID 1,3-PROPANEDIOL ESTER, Perampanel intermediate, 2-(1,3,2-Dioxaborinane-2-yl)benzonitrile, DMQ5GE4UM8, 2-CYANOPHENYLBORONIC ACID,1,3-PROPANEDIOL, SCHEMBL687490, 2-Cyanophenylboronic acid 13-propanediol cyclic ester, DTXSID80393361, REQZFVYFYAZUMG-UHFFFAOYSA-N, BCP11356, Trimethylene (2-cyanophenyl)boronate, AKOS004116216, AB17250, CS-W000883, AC-33890, AS-18695, SY051086, DB-064861, C2993, Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)-, 2-Cyanophenylboronic acid 1,3-propanediol ester, 96%, 2-Cyanophenylboronic acid 1,3-propanediol cyclic ester, 2-CYANOPHENYLBORONIC ACID-1,3-PROPANEDIOL CYCLIC ESTER, (2-CYANOPHENYL)BORONIC ACID, 1,3-PROPANEDIOL CYCLIC ESTER, 2-(1,3,2-Dioxaborolan-2-yl)benzonitrile, 2-Cyanophenylboronic acid propanediol ester

Application

2-(1,3,2-Dioxaborinan-2-yl)benzonitrile is widely used as a key intermediate in the synthesis of pharmaceuticals and agrochemicals, particularly in Suzuki-Miyaura cross-coupling reactions to form biaryl structures. Its boronic ester group offers enhanced stability and reactivity compared to free boronic acids, making it advantageous for complex synthetic routes. Researchers also employ this compound in the development of boron-containing polymers and advanced materials. Its benzonitrile moiety further expands utility in coordination chemistry and ligand design.

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