2-(2-Di-tert-butylphosphine)biphenylpalladium(II) acetate

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Product Information

Molecular Formula:
C22H29O2PPd
Molecular Weight:
462.86
Description
It can be used as a pre-catalyst for the amination of aryl chlorides. It can also be used to prepare N-methyl-6-heterocyclic-1-oxoisoindoline derivatives via Buchwald-Hartwig amination reaction of N-methyl-6- bromoisoindoline-1-one with different amines under microwave condition.
Precatalyst for Buchwald-Hartwig amination reaction.
Synonyms
Palladium, (acetato-O) [2-[bis (1,1 dimethylethyl) phosphino-P] [1,1-biphenyl]-2-yl C]
IUPAC Name
acetic acidditert-butyl-(2-phenylphenyl)phosphanepalladium
Canonical SMILES
CC(=O)O.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=[C-]2)C(C)(C)C.[Pd]
InChI
InChI=1S/C20H26P.C2H4O2.Pd/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-161-2(3)4/h7-12,14-15H,1-6H31H3,(H,3,4)/q-1
InChI Key
AGTIJKLADGVFEL-UHFFFAOYSA-N
Melting Point
130-140 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
97%

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
463.10182 g/mol
Monoisotopic Mass
463.10182 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
26
Formal Charge
-1
Complexity
521
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
3
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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