Basic Description

Synonyms	Pd2(dba)3 \| Tris(dba)dipalladium(0)
Specifications & Purity	≥99.95% metals basis
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Catalyst for [2+2+2] cycloaddtion of didehydrotriphenylenes to the corresponding extended triphenylenes. Catalyst for the carbonylation of β,β-imidoyl iodides to the corresponding imidate esters used, in turn, to prepare cyclic, quaternary amino acids. Catalyst for cross-coupling reactions. A cycloaddition catalyst. Product class M-C, Homogeneous Catalysts, Diene/Dienyl Ligands Reaction type Cross Coupling Reactions with Arenes, Amination, Buchwald-Hartwig Aminaton, Carbonylation, Mizoroki Heck Coupling Reaction, Stille Reaction, Suzuki-Miyaura Coupling Reaction, Oxidation, Reduction Chemical properties Chemical formula C51H42O3Pd2 Empirical formula [Pd2(dba)3] x dba Molecular weight 915.73 Metal Pd Theoretical metal content 16 Physical state crystalline Color dark purple Metal purity 99.95 Applications & references Palladium catalyzed conversion of aryl chlorides and triflates to nitroaromatics. Reference: J. Am. Chem. Soc. 2009, 131, 12898 (DOI: 10.1021/ja905768k) Site selective sp³ palladium catalyzed direct arylation for a rapid derivatization of heterocyclic compounds. Reference: J. Am. Chem. Soc. 2008, 130, 3266. (DOI: 10.1021/ja710451s) One-pot ketoindoline synthesis by Palladium catalyzed γ-arylation of β,γ-unsaturated ketones. Reference: Angew. Chem. Int. Ed. 2008, 47, 177. (DOI: 10.1002/anie.200704529) Asymmetric synthesis of indolines by Palladium catalyzed arylation of β,γ-unsaturated ketones. Reference: Angew. Chem. Int. Ed. 2008, 47, 177. (DOI: 10.1002/anie.200704529) Suzuki cross coupling of aryl chorides with arylboronic acids. Reference: Angew. Chem. Int. Ed. 1998, 37, 3387. (DOI: 10.1002/(SICI)1521-3773(19981231)37:24<3387::AID-ANIE3387>3.0.CO;2-P) Efficient method for Suzuki-Miyaura reaction of lithium triisopropyl 2-pyridylborates and aryl chlorides. Reference: Angew. Chem. Int. Ed. 2008, 48, 4695. (DOI: 10.1002/anie.200801465) Palladium catalyzed aminocarbonylation of aryl halides. Reference: J. Am. Chem. Soc. 2013, 135, 16841. (DOI: 10.1021/ja4098093)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acids and derivatives
Alternative Parents	Styrenes Enones Acryloyl compounds Ketones Organic transition metal salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Cinnamic acid or derivatives - Styrene - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488196312
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196312
IUPAC Name	(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
INCHI	InChI=1S/3C17H14O.2Pd/c318-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h31-14H;;/b3*13-11+,14-12+;;
InChIKey	CYPYTURSJDMMMP-WVCUSYJESA-N
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.[Pd].[Pd]
Isomeric SMILES	C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]
WGK Germany	2
Alternate CAS	51364-51-3,60748-47-2
UN Number	3077
Packing Group	III
Molecular Weight	915.74

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
K2404597	Certificate of Analysis	Oct 21, 2024	T284022
K2404602	Certificate of Analysis	Oct 21, 2024	T284022
K2404603	Certificate of Analysis	Oct 21, 2024	T284022
C2321729	Certificate of Analysis	Mar 04, 2023	T284022
C2321724	Certificate of Analysis	Mar 04, 2023	T284022
C2321719	Certificate of Analysis	Mar 04, 2023	T284022
C2321801	Certificate of Analysis	Mar 04, 2023	T284022
C2321736	Certificate of Analysis	Mar 04, 2023	T284022
C2321737	Certificate of Analysis	Mar 04, 2023	T284022

Chemical and Physical Properties

Solubility	Soluble in water (reacts), chloroform, DMSO (11 mM), benzene, and toluene.
Sensitivity	Air & Moisture & light Sensitive
Melt Point(°C)	152-155°C
Molecular Weight	915.700 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	916.121 Da
Monoisotopic Mass	914.12 Da
Topological Polar Surface Area	51.200 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	272.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	6
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	6
Covalently-Bonded Unit Count	5

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Cuicui Wu, Kaifei Tian, Xuan Guo, Yunming Fang. (2023) Integrating Fermentation Engineering and Organopalladium Chemocatalysis for the Production of Squalene from Biomass-Derived Carbohydrates as the Starting Material. Catalysts, 13 (11): (1392).
2. Chenbin Tang, Bangshuai Wei, Wu Tang, Yan Hong, Meichen Guo, Xuesong He, Jiahui Hu, Shan Jia, Cong Fan. (2023) Carbon-coating small-molecule organic bipolar electrodes for symmetric Li-dual-ion batteries. CHEMICAL ENGINEERING JOURNAL, 474 (145114).
3. Yuancheng Qin, Zhenhua Jiang, Yue Guo, Muhammad Asim Mushtaq, Zhen Shen, Wanjun Du, Cailing Ni, Geng Luo, Yu Ji, Zhiqi Zhang, Yonggui Deng, Arshad Hussain, Lasharl Najeeb Ur Rehman, Xingke Cai, Panagiotis Tsiakaras, Jie Zhao. (2023) Benzotriazole-based structure in porous organic polymer enhancing O2 activation for high-efficient degradation of tetracycline under visible light. CHEMICAL ENGINEERING JOURNAL, 460 (141810).
4. Hang Yu, Dewang Li, Huayu Bao, Zhenhu Zhang, Hongli Liu, Fei Zhang, Shirong Wang. (2022) Multifunctional Cross-Linked Hole Transporting Interfacial Layer for Efficient and Stable Perovskite Solar Cells. ACS Applied Energy Materials, 5 (9): (10742–10750).
5. Yongjia Lou, Jialin Xu, Luyan Xu, Zhuo Chen, Bo-Lin Lin. (2022) Chemically Recyclable CO2-Based Solid Polyesters with Facile Property Tunability. MACROMOLECULAR RAPID COMMUNICATIONS, 43 (20): (2200341).
6. Xianqi Zhu, Lin Li, Jin Tang, Chunyu Yang, Hao Yu, Kunpeng Liu, Ziyan Zheng, Xinggui Gu, Qingsong Yu, Fu-Jian Xu, Zhihua Gan. (2022) Cascade-responsive nano-assembly for efficient photothermal-chemo synergistic inhibition of tumor metastasis by targeting cancer stem cells. BIOMATERIALS, 280 (121305).
7. Li Sen, Geng Xin, Sun Wen-Quan, Han Guo-Zhi. (2018) Metal-Crown Ether-Porphyrin Decorated Gold Nanoparticles as High Sensitive Raman Ion Probe. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 18 (4): (2562-2568).
8. S. B. Tan, Y. F. Zhao, W. W. Zhang, P. Gao, W. W. Zhu, Z. C. Zhang. (2017) A light-mediated metal-free atom transfer radical chain transfer reaction for the controlled hydrogenation of poly(vinylidene fluoride-chlorotrifluoroethylene). Polymer Chemistry, 9 (2): (221-227).
9. Wang Jun, Wang Yuru, Song Lei, Wang Hua, Wang Jiaming, Li Cuiqin. (2017) Synthesis and antioxidant capacity of a C12-naphthylamine antioxidant in polyethylene. POLYMER BULLETIN, 74 (9): (3689-3705).
10. Tong Hu, Liangliang Han, Manjun Xiao, Xichang Bao, Ting Wang, Mingliang Sun, Renqiang Yang. (2014) Enhancement of photovoltaic performance by increasing conjugation of the acceptor unit in benzodithiophene and quinoxaline copolymers. Journal of Materials Chemistry C, 2 (38): (8047-8053).
11. Ya Chu, Fei Zhao, Fanpeng Meng, Weiqiang Zhang, Jinsheng Zhao, Xiujuan Zhong. (2024) Donor-acceptor type conjugated porous polymers based on benzotrithiophen and triazine derivatives: Effect of linkage unit on photocatalytic water splitting. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 64 (109).
12. Zhou Zhou, Yupeng Li, Xingxing Tang, Zheng Huang, Pengxiang Wang, Qing Xu, Shanghui Ye, Yonghua Li, Wenyong Lai. (2024) Low-Temperature Cross-Linkable Hole Transport Material Based on Carbazole Derivatives Design and Applications in Solution-Processed OLEDs. MACROMOLECULES, 57 (9): (4130-4140).

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SKU	Size	Availability	Price
T284022-1g	1g	4	$273.90
T284022-5g	5g	4	$953.90
T284022-25g	25g	1	$3,333.90

Tris(dibenzylideneacetone)dipalladium(0) - 99.95% metals basis, high purity , CAS No.51364-51-3