Tri-tert-butylphosphonium Tetrafluoroborate

Product Information

Molecular Formula:
C12H28F4PB
Molecular Weight:
290.13
Description
Hindered Phosphine salt employed with a Pd(0)-15-membered, triolefinic, macrocyle in Suzuki cross-coupling reactions of aryl bromides and chlorides. Also used in Heck coupling of non-activated vinyl tosylates with electron deficient olefins. Ligand used in the Pd-catalyzed enantioselective α−arylation of N-boc-pyrrolidine.
Synonyms
tritert-butylphosphonium;tetrafluoroborate; tritert-butylphosphanium;tetrafluoroborate
IUPAC Name
tritert-butylphosphanium;tetrafluoroborate
Canonical SMILES
[B-](F)(F)(F)F.CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C12H27P.BF4/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3,4)5/h1-9H3;/q;-1/p+1
InChI Key
YTJUCJAUJCXFTN-UHFFFAOYSA-O
Melting Point
261 °C (lit.)
Flash Point
Not applicable
Purity
97 %
LogP
5.89610

Safety Information

Precautionary Statement
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
290.1957807 g/mol
Monoisotopic Mass
290.1957807 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
147
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113683639-A Process method for synthesizing tri-tert-butylphosphonium tetrafluoroborate 2021-09-06
CN-113651841-A Multiple resonance type thermal activation delayed fluorescence material with spatial three-dimensional structure, electronic device and application thereof 2021-08-13
US-2022006026-A1 Organic electroluminescence device and electronic device 2021-06-11
CN-113083235-A Tetrathiafulvalene-based covalent organic framework material and preparation method and application thereof 2021-03-30
CN-113105457-A Thermal activation delayed fluorescence crystalline framework material and preparation method and application thereof 2021-03-29
CN-113105457-B Thermal activation delayed fluorescence crystalline framework material and preparation method and application thereof 2021-03-29
CN-113072572-A Boron-containing spiro compound and organic electroluminescent device 2021-03-23
CN-112940025-A Chiral thermal activation delayed fluorescent material, preparation method and application 2021-01-28
CN-112645791-A Novel OLED material and preparation method and application thereof 2020-12-22
CN-112592362-A Condensed ring compound containing boron, nitrogen and sulfur atoms and five-membered aromatic heterocycle and organic electroluminescent device 2020-12-21
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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