BROMOBIS(PH3P)(N-SUCCINIMIDE)PD(II)

Product Information

Molecular Formula:
C40H34BrNO2P2Pd
Molecular Weight:
808.98
Description
trans-Bromo(N-succinimidyl)bis(triphenylphosphine)palladium(II) may be used in the following processes:• As a catalyst for the preparation of 6-cyano-2-(3-fluoro-benzyl)-indole-1-carboxylic acid tert-butyl ester via Suzuki cross-coupling reaction between 1-boc-6-cyanoindole-2-boronic acid and 3-fluorobenzyl bromide. This method does not involve the use of strong bases or toxic reagents and also the use of this catalyst minimizes protodeboronation.• As a precatalyst for the Suzuki-Miyaura cross-coupling reaction between alkenyl tosylates and alkenyl MIDA boronates in the absence of phosphine ligands. For less activated alkenyl tosylate, the addition of tricyclohexylphosphine tetrafluoroborate improves the reactivity.
Catalyst for C-C bond formation, e.g. Stille coupling reaction and Suzuki coupling.
Synonyms
bromopalladium(1+); pyrrolidin-1-ide-2,5-dione; triphenylphosphane; [Pd(NCOC2H4CO)(PPh3)2Br]; 251567-28-9; Bromobis(triphenylphosphine)(N-succinimide)palladium(II)
IUPAC Name
bromopalladium(1+)pyrrolidin-1-ide-2,5-dionetriphenylphosphane
Canonical SMILES
C1CC(=O)[N-]C1=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Br[Pd+]
InChI
InChI=1S/2C18H15P.C4H5NO2.BrH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-3-1-2-4(7)5-3;;/h2*1-15H;1-2H2,(H,5,6,7);1H;/q;;;;+2/p-2
InChI Key
KYQYWUJRFOCJEW-UHFFFAOYSA-L
Melting Point
223-228°C (dec.)(lit.)
Flash Point
Not applicable
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
807.02830 g/mol
Monoisotopic Mass
807.02830 g/mol
Topological Polar Surface Area
35.1Ų
Heavy Atom Count
47
Formal Charge
0
Complexity
315
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
4
Compound Is Canonicalized
Yes
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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