Cas no 736989-95-0 (N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide)

N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is a boronic ester derivative with significant utility in synthetic organic chemistry, particularly in Suzuki-Miyaura cross-coupling reactions. The presence of the dioxaborolane group enhances stability and handling, while the fluorine substituent offers potential for further functionalization. This compound is valuable as an intermediate in pharmaceutical and agrochemical research, enabling the construction of complex aryl-aryl bonds. Its cyclohexylamide moiety may improve solubility and influence reactivity in catalytic systems. The product is typically characterized by high purity and consistent performance, making it a reliable choice for precision synthesis applications. Proper storage under inert conditions is recommended to maintain integrity.
N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide structure
736989-95-0 structure
Product Name:N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS No:736989-95-0
MF:C19H27BFNO3
MW:347.2320
MDL:MFCD22494646
CID:4655876
PubChem ID:69712364
Update Time:2025-05-24

N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Chemical and Physical Properties

Names and Identifiers

    • N-cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
    • 736989-95-0
    • D93833
    • AS-55445
    • AKOS037644869
    • SCHEMBL6226812
    • N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
    • MDL： MFCD22494646
    • Inchi： 1S/C19H27BFNO3/c1-18(2)19(3,4)25-20(24-18)13-10-11-15(16(21)12-13)17(23)22-14-8-6-5-7-9-14/h10-12,14H,5-9H2,1-4H3,(H,22,23)
    • InChI Key： WANRXUOKTLHYOK-UHFFFAOYSA-N
    • SMILES： FC1C([H])=C(B2OC(C([H])([H])[H])(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])O2)C([H])=C([H])C=1C(N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=O

Computed Properties

  • Exact Mass: 347.2068021g/mol
  • Monoisotopic Mass: 347.2068021g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 477
  • 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: 47.6

N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Pricemore >>

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N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Related Literature

Additional information on N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Compound CAS No 736989-95-0: N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

The compound with CAS No 736989-95-0, named N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, is a highly specialized organic compound that has garnered significant attention in the fields of organic synthesis and materials science. This compound is characterized by its unique structure, which includes a cyclohexyl group, a fluorine atom, and a dioxaborolane moiety. These structural features make it a valuable building block in the development of advanced materials and pharmaceutical agents.

Recent studies have highlighted the potential of this compound in the synthesis of functional materials. The presence of the dioxaborolane group allows for versatile reactivity under various coupling conditions. For instance, researchers have successfully utilized this compound in Suzuki-Miyaura cross-coupling reactions to construct complex aromatic systems with high precision. This capability is particularly advantageous in drug discovery programs where precise control over molecular architecture is crucial.

The cyclohexyl group attached to the benzamide moiety contributes to the compound's stability and solubility properties. These attributes are essential for applications in medicinal chemistry, where compounds must exhibit suitable pharmacokinetic profiles. Moreover, the fluorine atom at the 2-position of the benzene ring introduces electronic effects that can modulate the compound's reactivity and biological activity.

One of the most notable advancements involving this compound is its role in the development of boron-containing pharmaceuticals. Boron-based compounds have shown promise in targeted drug delivery systems due to their unique chemical properties. The dioxaborolane moiety in this compound serves as a reactive handle for attaching targeting ligands or imaging agents, making it a valuable tool in nanotechnology and diagnostic applications.

From an environmental perspective, researchers have also explored the biodegradation pathways of this compound. Studies indicate that under specific conditions, it can undergo enzymatic cleavage at the boron-carbon bond, offering insights into its potential for sustainable chemical processes. This aspect aligns with current global efforts to develop eco-friendly synthetic methodologies.

In summary, CAS No 736989-95-0 represents a multifaceted compound with diverse applications across various scientific disciplines. Its unique structure and reactivity make it an indispensable tool in modern organic synthesis and materials science. As research continues to uncover new possibilities for this compound, its role in advancing technological and therapeutic innovations is expected to grow significantly.

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