Tris(dibenzylideneacetone)dipalladium-chloroForm adduct

Product Information

Molecular Formula:
C52H43Cl3O3Pd2
Molecular Weight:
1035.09
Description
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Tris(dibenzylideneacetone)dipalladium(0)-chloroform adduct (Pd2dba3·CHCl3) was used in the following studies:• To compose the catalytic system for the preparation of homoallylpalladium complexes.These complexes underwent in situ Stille type cross coupling with various vinyltin reagents to afford the cyclized products bearing allyl appendages.• As palladium source in the asymmetric transformations of 3,4-epoxy-1-butene.• As catalyst for the Heck cross-coupling reaction of iodobenzene with styrene.• As cyclization catalyst.• As catalyst for [2+2+2] cycloaddtion of didehydrotriphenylenes to the corresponding extended triphenylenes. • As catalyst for the carbonylation of b,b-imidoyl iodides to the corresponding imidate esters used, in turn, to prepare cyclic, quaternary amino acids.
Synonyms
TRIS(DIBENZYLIDENEACETONE)(CHLOROFORM)-DI-PALLADIUM(0); TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) CHLOROFORM ADDUCT; TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM-CHLOROFORM ADDUCT; TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM CHLOROFORM COMPLEX; DIPALLADIUM(0)TRIS(DIBENZYL
IUPAC Name
chloroform(1E,4E)-1,5-diphenylpenta-1,4-dien-3-onepalladium
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd]
InChI
InChI=1S/3C17H14O.CHCl3.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-162-1(3)4/h3*1-14H1H/b3*13-11+,14-12+
InChI Key
LNAMMBFJMYMQTO-FNEBRGMMSA-N
Melting Point
131-135 °C (lit.)
Flash Point
Not applicable

Safety Information

Hazards
H302 - H315 - H351
Precautionary Statement
P201 - P301 + P312 + P330 - P302 + P352 - P308 + P313

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
12
Exact Mass
1034.03515 g/mol
Monoisotopic Mass
1032.03474 g/mol
Topological Polar Surface Area
51.2Ų
Heavy Atom Count
60
Formal Charge
0
Complexity
280
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
6
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
6
Compound Is Canonicalized
Yes

Patents

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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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