Di-tert-butyl(methyl)phosphonium tetrafluoroborate

Product Information

Molecular Formula:
C9H22BF4P
Molecular Weight:
248.05
Description
Di-tert-butyl(methyl)phosphonium tetrafluoroborate may be used in the preparation of a precursor for nantenine analogs bearing a C4 phenyl substituent, which shows an affinity for 5-HT2B receptor. It may also be used in the palladium-catalyzed borylation of primary alkyl electrophiles (bromides, iodides or tosylates) using bis(pinacolato)diboron or bis(neopentyl glycolato)diboron as the boron source.
The phosphonium salt is used for Pd catalyzed cross coupling reaction.
Synonyms
(t-Bu)2PMeHBF4,Bis(1,1-dimethylethyl)methylphosphine tetrafluoroborate
IUPAC Name
ditert-butyl(methyl)phosphaniumtetrafluoroborate
Canonical SMILES
[B-](F)(F)(F)F.CC(C)(C)[PH+](C)C(C)(C)C
InChI
InChI=1S/C9H21P.BF4/c1-8(2,3)10(7)9(4,5)62-1(3,4)5/h1-7H3/q-1/p+1
InChI Key
BRDLRXCAHKUWJS-UHFFFAOYSA-O
Melting Point
>230 °C (lit.)
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H314
Precautionary Statement
P260 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338 + P310

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
248.1488305 g/mol
Monoisotopic Mass
248.1488305 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
108
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-112646099-A Preparation method of beta-pinene-isobutene-indene copolymer resin and application of beta-pinene-isobutene-indene copolymer resin in toughening and modifying polypropylene 2020-12-03
JP-2021172623-A Nitrogen-containing condensed polycyclic aromatic compounds and methods for producing them 2020-04-28
WO-2021094416-A1 7-pyrimidine-2-yl-oxy-indazole derivatives and their use as herbicides 2019-11-14
JP-2021046358-A Regioregular self-doped poly (3,4-ethylenedioxythiophene) derivative and its synthesis method 2019-09-17
JP-2021046359-A 2-Hydroxymethyl-2,3-dihydrothieno [3,4-b] [1,4] dioxine-5-carboxylic acid ester 2019-09-17
JP-2021046361-A (7-Halo-2,3-dihydrothieno [3,4-b] [1,4] dioxin-2-yl) Methanol 2019-09-17
WO-2021013693-A1 Antibody drug conjugates (adcs) with nampt inhibitors 2019-07-23
JP-2020158411-A Method for producing condensed ring compound 2019-03-25
WO-2020170178-A1 A process for the synthesis anthranilic diamide compounds and intermediates thereof 2019-02-22
CA-3129950-A1 A process for the synthesis anthranilic diamide compounds and intermediates thereof 2019-02-22
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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