Skip to Content
Merck
All Photos(2)

Key Documents

View All Documentation

Safety Information

676179

Sigma-Aldrich

Di-tert-butylneopentylphosphonium tetrafluoroborate

95%

Synonym(s):

Di-tert-butylneopentylphosphine tetrafluoroborate

Sign Into View Organizational & Contract Pricing
All Photos(2)

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.[1]

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

JAN Code

676179-1G:4548173243221
676179-BULK:
676179-VAR:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCS5465
MKCR8331
MKCB9583
MKBQ9824V
MKBQ9823V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service