Description

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS No. 214360-46-0) is a high-purity boronic ester derivative with the molecular formula C₁₃H₁₆BNO₂. This compound features a benzonitrile group tethered to a pinacol boronate moiety, making it a versatile intermediate in Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed transformations. Its stability under ambient conditions and compatibility with diverse reaction conditions make it ideal for pharmaceutical, agrochemical, and materials science research. Available in rigorously tested batches, this reagent ensures consistent performance in synthetic applications. Store in a cool, dry place under inert atmosphere to maintain optimal stability.

Properties

• CAS Number: 214360-46-0
• Complexity: 329
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• InChI: InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
• InChI Key: FIGQEPXOSAFKTA-UHFFFAOYSA-N
• Exact Mass: 229.1274089
• Molecular Formula: C13H16BNO2
• Molecular Weight: 229.08
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#N
• Topological: 42.3
• Monoisotopic Mass: 229.1274089
• Synonyms: 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, (3-CYANOPHENYL)BORONIC ACID PINACOL ESTER, 625-255-0, 214360-46-0, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 3-Cyanophenylboronic acid pinacol ester, 3-Cyanophenylboronic acid, pinacol ester, MFCD03789262, 3-Cyanobenzeneboronic acid, pinacol ester, Pinacolborane Impurity 3, Benzonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, SCHEMBL760732, SCHEMBL17630649, DTXSID40375244, FIGQEPXOSAFKTA-UHFFFAOYSA-N, AKOS015950762, AB16130, AS-2730, CS-W003113, SY023527, DB-045579, 3-Cyanophenylboronic acid pinacol ester, 97%, 3-CYANPHENYLBORONIC ACID PINACOL ESTER, EN300-316750, Z1336745079, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile, 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 3-cyanophenylboronate, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXOBOROLAN-2-YL)-BENZONITRILE

Application

3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is widely used as a key building block in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions to form biaryl structures. It serves as a precursor for functionalized aromatic compounds in drug discovery and material science. The compound’s stability and reactivity also make it valuable in the development of liquid crystals and OLED materials.

Safety and Hazards

GHS Hazard Statements

• H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.7%): 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 (97.7%)
• Eye Irrit. 2 (97.7%)
• STOT SE 3 (97.7%)

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