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