Cas no 850623-61-9 (Potassium (4-Butoxyphenyl)-trifluoro-boranuide)

Potassium (4-Butoxyphenyl)-trifluoro-boranuide is an organoboron compound commonly utilized in synthetic organic chemistry, particularly in Suzuki-Miyaura cross-coupling reactions. Its key advantages include enhanced stability under ambient conditions compared to traditional boronic acids, facilitating easier handling and storage. The butoxy substituent improves solubility in organic solvents, broadening its applicability in diverse reaction systems. As a trifluoroborate salt, it offers superior reactivity and selectivity in palladium-catalyzed transformations, enabling efficient C-C bond formation. This compound is particularly valuable in pharmaceutical and materials science research, where precise functionalization of aromatic systems is required. Its robust nature minimizes protodeboronation side reactions, ensuring higher yields in complex synthetic pathways.
Potassium (4-Butoxyphenyl)-trifluoro-boranuide structure
850623-61-9 structure
Product Name:Potassium (4-Butoxyphenyl)-trifluoro-boranuide
CAS No:850623-61-9
MF:C10H13BF3KO
MW:256.114134550095
MDL:MFCD04115755
CID:720566
PubChem ID:44717219
Update Time:2025-06-07

Potassium (4-Butoxyphenyl)-trifluoro-boranuide Chemical and Physical Properties

Names and Identifiers

    • Potassium (4-butoxyphenyl)trifluoroborate
    • Potassium(4-Butoxyphenyl)Trifluorborate
    • Potassium 4-n-butoxyphenyltrifluoroborate
    • potassium (4-butoxyphenyl)-trifluoro-boranuide
    • Potassium (4-n-butoxyphenyl)trifluorate
    • potassium,(4-butoxyphenyl)-trifluoroboranuide
    • AB20554
    • Potassium(4-butoxyphenyl)trifluoroborate
    • Potassium (4-butoxyphenyl)(trifluoro)borate(1-)
    • POTASSIUM (4-BUTOXYPHENYL)TRIFLUOROBORANUIDE
    • potassium;(4-butoxyphenyl)-trifluoroboranuide
    • DTXSID10660119
    • AKOS012988453
    • D71354
    • MFCD04115755
    • 850623-61-9
    • Potassium (4-n-butoxyphenyl)trifluoroborate
    • AS-2926
    • EN300-7392068
    • Potassium (4-Butoxyphenyl)-trifluoro-boranuide
    • MDL: MFCD04115755
    • Inchi: 1S/C10H13BF3O.K/c1-2-3-8-15-10-6-4-9(5-7-10)11(12,13)14;/h4-7H,2-3,8H2,1H3;/q-1;+1
    • InChI Key: UEVIEKRZQJRPGE-UHFFFAOYSA-N
    • SMILES: [K+].F[B-](C1C=CC(=CC=1)OCCCC)(F)F

Computed Properties

  • Exact Mass: 256.06500
  • Monoisotopic Mass: 256.065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 181
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.2A^2

Experimental Properties

  • Melting Point: >300
  • PSA: 9.23000
  • LogP: 2.91990

Potassium (4-Butoxyphenyl)-trifluoro-boranuide Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

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