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Atomfair 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile C13H15BFNO2 CAS 935685-88-4

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS: 935685-88-4) is a high-purity boronic ester derivative with the molecular formula C13H15BFNO2. This compound features a fluorinated benzonitrile moiety coupled with a pinacol boronate group, making it a versatile intermediate in Suzuki-Miyaura cross-coupling reactions and other palladium-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 >95% purity (HPLC), this reagent is rigorously tested for consistency and performance. Suitable for use in organic synthesis, medicinal chemistry, and as a building block for advanced boron-containing materials.

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Description

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CAS: 935685-88-4) is a high-purity boronic ester derivative with the molecular formula C13H15BFNO2. This compound features a fluorinated benzonitrile moiety coupled with a pinacol boronate group, making it a versatile intermediate in Suzuki-Miyaura cross-coupling reactions and other palladium-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 >95% purity (HPLC), this reagent is rigorously tested for consistency and performance. Suitable for use in organic synthesis, medicinal chemistry, and as a building block for advanced boron-containing materials.

Properties

  • CAS Number: 935685-88-4
  • Complexity: 360
  • IUPAC Name: 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • InChI: InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3
  • InChI Key: WWDTYZLFIFQZDE-UHFFFAOYSA-N
  • Exact Mass: 247.1179870
  • Molecular Formula: C13H15BFNO2
  • Molecular Weight: 247.07
  • SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)C#N
  • Topological: 42.3
  • Monoisotopic Mass: 247.1179870
  • Synonyms: 935685-88-4, 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, 3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile, 3-CYANO-5-FLUOROPHENYLBORONIC ACID PINACOL ESTER, 3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, MFCD11521351, SCHEMBL419330, 3-CYANO-5-FLUOROBENZENEBORONIC ACID PINACOL ESTER, DTXSID80674248, WWDTYZLFIFQZDE-UHFFFAOYSA-N, CS-B1232, ZB0294, AKOS015942804, MB09945, AS-37042, DA-00623, EN300-305732, 3-Cyano-5-fluorobenzeneboronic acid pinacol ester, 96%, 3-fluoro-5-(4,4,5,5-tetramethyl-1,3.2-dioxaborolan-2-yl)benzonitrile, 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile

Application

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is widely used in Suzuki-Miyaura cross-coupling reactions to introduce fluorinated aromatic nitrile groups into complex molecules. Its applications include the synthesis of bioactive compounds, pharmaceuticals, and functional materials. The compound’s stability and reactivity make it valuable for constructing aryl-aryl bonds in medicinal chemistry. It is also employed in the development of boron-based probes and sensors.

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Disclaimer

Intended Use & Restrictions

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  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
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