Bis(dibenzylideneacetone)palladium
Product Information
Molecular Formula
C34H28O2Pd
Molecular Weight
575.01
Description
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Bis(dibenzylideneacetone)palladium(0) (Pd(dba)2) was employed as catalyst in the following studies:• Synthesis of isomeric 2-aryl-2,5-dihydrofurans, via Heck coupling of aryl bromides with alkenes using neopentyl phosphine ligands. • Heck reaction of benzyl trifluoroacetate and 2,3-dihydrofuran phosphoramidite ligand.• Allylation of stabilized anions.• Cross coupling of allyl, alkenyl and aryl halides with organostannanes.• Cross coupling of vinyl halides with alkenyl zinc species.• Carbonylation of alkenyl and aryl halides.• Employed with cyclic thiourea ligands in an efficient aerobic oxidation of alcohols to aldehydes and ketones.
Bis(dibenzylideneacetone)palladium(0) (Pd(dba)2) was employed as catalyst in the following studies:• Synthesis of isomeric 2-aryl-2,5-dihydrofurans, via Heck coupling of aryl bromides with alkenes using neopentyl phosphine ligands. • Heck reaction of benzyl trifluoroacetate and 2,3-dihydrofuran phosphoramidite ligand.• Allylation of stabilized anions.• Cross coupling of allyl, alkenyl and aryl halides with organostannanes.• Cross coupling of vinyl halides with alkenyl zinc species.• Carbonylation of alkenyl and aryl halides.• Employed with cyclic thiourea ligands in an efficient aerobic oxidation of alcohols to aldehydes and ketones.
Synonyms
BIS(DIBENZYLIDENEACETONE)PALLADIUM; BIS(DIBENZYLIDENEACETONE) PALLADIUM(0); PALLADIUM (0) BIS(DIBENZYLIDENEACETONE) SALT; PALLADIUM(0) BIS(DIBENZYLIDENEACETONE); PD(DBA)2; Bis(dibenzylideneacetone)palladium(0) Pd(dba)2Pd2(dba)3dba
IUPAC Name
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-onepalladium
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.[Pd]
InChI
InChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-14H;/b2*13-11+,14-12+;
InChI Key
UKSZBOKPHAQOMP-SVLSSHOZSA-N
Boiling Point
400.7°C at 760 mmHg
Melting Point
150°C
Flash Point
Not applicable
Purity
Pd content 18.5~22%
Appearance
Purple powder
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
574.11241 g/mol
Monoisotopic Mass
574.11241 g/mol
Topological Polar Surface Area
34.1Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
272
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
4
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114031475-A | Bromine simple substance-promoted extremely-low-dose palladium-catalyzed water-phase Suzuki coupling reaction method | 2021-12-24 |
| CN-114163465-A | Synthesis method of alkenyl borate compound | 2021-12-24 |
| CN-114031565-A | N, N' -disubstituted dihydrophenazine-based compound and preparation method and application thereof | 2021-12-09 |
| CN-114085197-A | Synthesis method of 4- (3-trifluoromethylphenyl) -1-piperazine-ethanol, flibanserin intermediate and flibanserin | 2021-12-01 |
| CN-113896735-A | Thermal activation red light delay material based on coumarin-pyrazine structure and application of thermal activation red light delay material in organic electroluminescent device | 2021-11-16 |
| CN-114085200-A | Method for preparing 2, 5-furandicarboxylic acid by using 2-furancarboxylic acid as raw material through one-pot method | 2021-11-15 |
| CN-113979997-A | N, N- (4-piperidyl, aryl) -3-aminophenol derivatives, pharmaceutical composition and application thereof | 2021-11-12 |
| CN-113979918-A | C-3-position five-membered spiro indolone derivative containing all-carbon tetra-substituted olefin structure and preparation and application thereof | 2021-11-04 |
| CN-114163436-A | Diarylmethane derivative containing indolizine and preparation method and application thereof | 2021-11-04 |
| CN-114031494-A | Method for preparing carboxylic acid by catalyzing reaction of unsaturated hydrocarbon and formic acid by using catalyst containing noble metal compound | 2021-11-01 |
