Bis(tri-tert-butylphosphine)palladium(0)
An organic compound, C24H54P2Pd, 511.064 g/mol. Appears in 7 documented reactions.
Identifiers
- Molecular formula
- C₂₄H₅₄P₂Pd
- Molecular weight
- 511.064 g/mol
- Exact mass
- 510.273561 g/mol
- IUPAC name
- palladium;bis(tritert-butylphosphane)
- CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]
- InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3;
- MXQOYLRVSVOCQT-UHFFFAOYSA-N
Calculated properties
- Molecular weight
- 511.1 g/mol
- Exact mass
- 510.27356 Da
- Polar surface area
- 0 Ų
- Complexity
- 128
- H-bond donors
- 0
- H-bond acceptors
- 0
- logP
- 9.7251
- Topological polar surface area
- 0 Ų
- H-bond donors
- 0
- H-bond acceptors
- 0
- Rotatable bonds
- 0
- Molar refractivity
- 132.358 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.2245
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 27
- Total atoms, hydrogen included
- 81
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
7 documented reactions involve Bis(tri-tert-butylphosphine)palladium(0), each with a written procedure and a source, and all of them are buchwald–hartwig amination. A few are shown.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a catalyst
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a catalyst
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a catalyst
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Other names for it
The systematic name on this record is palladium;bis(tritert-butylphosphane).
The sources also call it DTXSID80370359, RefChem:329913, DTXCID10321394, BIS(TRI-TERT-BUTYLPHOSPHINE)PALLADIUM, Bis(tri-t-butylphosphine)palladium(0), palladium;tritert-butylphosphane, MFCD03094580, bis(tri-tert-butylphosphane) palladium, PD(T-BU3P)2, Palladium, bis[tris(1,1-dimethylethyl)phosphine]-, Bis(tri-t-butylphosphine)palladium (0).
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Bis(tri-tert-butylphosphine)palladium(0). This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
(R)-1-Boc-3-methylpiperazine
used as a reactant
C₁₀H₂₀N₂O₂, 200.282 g/mol.
(R)-4-(4-benzyloxyphenyl)-3-methylpiperazine-1-carboxylic acid tert-butyl ester
formed as a product
C₂₃H₃₀N₂O₃, 382.504 g/mol.
1,4-Dioxane
C₄H₈O₂, 88.106 g/mol.
1-(2,2-Difluoro-2H-1,3-benzodioxol-5-YL)piperazine
formed as a product
C₁₁H₁₂F₂N₂O₂, 242.225 g/mol.
(R)-1-Boc-2-isopropylpiperazine
used as a reactant
C₁₂H₂₄N₂O₂, 228.336 g/mol.
1,2-Dimethoxyethane
C₄H₁₀O₂, 90.122 g/mol.
Where these values came from
reference compound database2734558
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under B
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C24H54P2Pd in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Bis(tri-tert-butylphosphine)palladium(0) for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.