Basic information
- CAS
32005-36-0- Standard SMILES
O=C(C=Cc1ccccc1)/C=C/c1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd]- InChIKey
UKSZBOKPHAQOMP-NEAGFOFJSA-N- Molecular formula
- C34H28O2Pd
- Average molar mass
- 575 g/mol
- Monoisotopic mass
- 574.11241
Names & identifiers
- Preferred name
- 1,5-diphenylpenta-1,4-dien-3-one;(4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
- IUPAC
- 1,5-diphenylpenta-1,4-dien-3-one;(4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
- English name
- Bis(dibenzylideneacetone)palladium
- Molecular formula
- C34H20O2Pd
- Molecular weight
- 566.95
Names & synonyms
SCHEMBL29385599PD(DBA)2DBaPdPALLADIUM(0) BIS(DIBENZYLIDENEACETONE)(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one,palladiumPd(C17H14O)2bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) palladiumBis(dibenzyLideneacetone)paLSucrose Impurity 12Bis(dba)palladium(0)
Database identifiers
- CAS
32005-36-0- PubChem CID
- 175692932
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 150 °C · 150°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly)
- form
- Fine Powder
- color
- Red-brown to black
- Water Solubility
- insoluble
- Sensitive
- Air & Moisture Sensitive
- Stability
- Hygroscopic
- InChI
- InChI=1S/2C17H10O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-10H;
- InChIKey
- WTAPZWXVSZMMDG-JZOPPWQGSA-N
- SMILES
- O=C1C2=C(C3C=CC=CC=3)[Pd]34562(C(C2C=CC=CC=2)=C3C(=O)C4=C5C2C=CC=CC=2)C(C2C=CC=CC=2)=C16
- CAS DataBase Reference
- 32005 · 32005-36-0(CAS DataBase Reference)
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- No
- hs_code
- 28439000
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
UsesHydrogenation, isomerization, carbonylation, oxidation, C-C bond formation.Bis(dibenzylideneacetone)palladium(0) is used as a reagent for the preparation of allylic substituted cyclopentadienes. It acts as a homogeneous catalyst as well as in the alkylation of allyl acetates by various nucleophiles. Further, it is used in Suzuki reaction.
UsesApplication Guide for Palladium Catalyzed Cross-Coupling Reactions
General DescriptionBis(dibenzylideneacetone)palladium(0) (Pd(dba)2) is an air stable Pd0 complex. It is a reagent for the synthesis of allylic substituted cyclopentadienes. It is a homogeneous catalyst. It catalyzes the alkylation of allyl acetates by various nucleophiles under mild conditions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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