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Sigma-Aldrich

Di-tert-butylneopentylphosphonium tetrafluoroborate

95%

Synonym(s):

Di-tert-butylneopentylphosphine tetrafluoroborate

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About This Item

Empirical Formula (Hill Notation):
C13H30BF4P
CAS Number:
886059-84-3
Molecular Weight:
304.16
MDL number:
MFCD08064039
UNSPSC Code:
12352101
PubChem Substance ID:
24884839
NACRES:
NA.22

Assay

95%

form

solid

reaction suitability

reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: ligand
reaction type: Cross Couplings

mp

258-262 °C

functional group

phosphine

SMILES string

F[B-](F)(F)F.CC(C)(C)C[PH+](C(C)(C)C)C(C)(C)C

InChI

1S/C13H29P.BF4/c1-11(2,3)10-14(12(4,5)6)13(7,8)9;2-1(3,4)5/h10H2,1-9H3;/q;-1/p+1

InChI key

UWNPUGYQGIWNRI-UHFFFAOYSA-O

Application

  • Cocatalyst for palladium-catalyzed Kumada couplings
This neopentylphosphine ligand proved to be superior to tris(tert-butyl)phosphine in palladium-catalyzed aminations of aryl bromides and chlorides.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Lensey L Hill et al.
The Journal of organic chemistry, 71(14), 5117-5125 (2006-07-01)
Di(tert-butyl)neopentylphosphine (DTBNpP) in combination with palladium sources provided catalysts with comparable or better activity for the Hartwig-Buchwald amination of aryl bromides than tri(tert-butyl)phosphine (TTBP) under mild conditions. DTBNpP also provided effective catalysts for amination reactions of aryl chlorides at elevated

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