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
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 |
