Cas no 1003298-73-4 (2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)

2,6-Difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a boronic ester derivative featuring a benzonitrile core with fluorine substituents at the 2- and 6-positions. This compound is primarily utilized as a versatile intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex biaryl structures. The electron-withdrawing cyano and fluoro groups enhance its reactivity in palladium-catalyzed transformations, while the tetramethyl dioxaborolane moiety offers improved stability and handling compared to boronic acids. Its structural features make it particularly valuable in pharmaceutical and agrochemical research for constructing fluorinated aromatic scaffolds. The compound’s stability under ambient conditions and compatibility with diverse reaction conditions further contribute to its utility in synthetic chemistry.
2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile structure
1003298-73-4 structure
Product Name:2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No:1003298-73-4
MF:C13H14BF2NO2
MW:265.06357049942
MDL:MFCD22419275
CID:1033205
PubChem ID:58504590
Update Time:2025-06-29

2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    • 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile
    • 4-Cyano-3,5-difluorophenylboronic acid pinacol ester
    • AK119864
    • C13H14BF2NO2
    • XYMVJTWEERDWFY-UHFFFAOYSA-N
    • 0155AA
    • FCH2881988
    • SY108322
    • PC408301
    • AX8245280
    • ST2403737
    • 4-Cyano-3,5-difluorobenzeneboronic acid pinacol ester
    • 2,6-DI
    • DS-5792
    • 2,6-DIFLUORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
    • DTXSID20729347
    • AB93123
    • SCHEMBL1317499
    • 2,6-difluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
    • Z2044760420
    • 1003298-73-4
    • Benzonitrile, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • EN300-7401807
    • MFCD22419275
    • AC1505
    • DB-346527
    • AKOS016010764
    • CS-0129916
    • 4-Cyano-3,5-difluorobenzeneboronic acid pinacol ester, 96%
    • 2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    • MDL： MFCD22419275
    • Inchi： 1S/C13H14BF2NO2/c1-12(2)13(3,4)19-14(18-12)8-5-10(15)9(7-17)11(16)6-8/h5-6H,1-4H3
    • InChI Key： XYMVJTWEERDWFY-UHFFFAOYSA-N
    • SMILES： FC1C(C#N)=C(C=C(B2OC(C)(C)C(C)(C)O2)C=1)F

Computed Properties

  • Exact Mass: 265.10900
  • Monoisotopic Mass: 265.1085652g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 379
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.2

Experimental Properties

  • PSA: 42.25000
  • LogP: 2.13568

2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Security Information

2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Production Method

2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Related Literature

1003298-73-4 (2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile) Related Products

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