Description Uses Reactions References
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Tris(dibenzylideneacetone)dipalladium

Description Uses Reactions References
Product Name
Tris(dibenzylideneacetone)dipalladium
CAS No.
51364-51-3
Chemical Name
Tris(dibenzylideneacetone)dipalladium
Synonyms
(DBA)3PD2;Tris(dibenzylideneacetone)palladium;tris(1,5-diphenylpenta-1,4-dien-3-one) dipalladium;Pd2(dbba)3;Pd2(dibenzylideneacetone)3;Tris(dibenzylideneacetonyl)bis-palladium;Tris(dibenzylidenaceTone) dipalladium (O);Tris(dibenzylideneac;Tris(dibenzyL;ideneacetone)dipaL
CBNumber
CB9855353
Molecular Formula
C51H42O3Pd2
Formula Weight
915.71738
MOL File
51364-51-3.mol
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Tris(dibenzylideneacetone)dipalladium Property

Melting point:
152-155°C
storage temp. 
2-8°C
solubility 
Soluble in chlorinated solvents, benzene and THF.
form 
Fine Crystalline Powder
color 
Purple to black
Water Solubility 
insoluble
Sensitive 
Air & Moisture Sensitive
InChI
InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11+,14-12+;;
InChIKey
IBXMKLPFLZYRQZ-VCHVFRDLSA-N
CAS DataBase Reference
51364-51-3(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn
Risk Statements 
20/22-36-40
Safety Statements 
24/25-36/37
WGK Germany 
3
TSCA 
No
HS Code 
28439000
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H317May cause an allergic skin reaction

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P272Contaminated work clothing should not be allowed out of the workplace.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
328774
Product name
Tris(dibenzylideneacetone)dipalladium(0)
Purity
97%
Packaging
1g
Price
$89.2
Updated
2024/03/01
Sigma-Aldrich
Product number
328774
Product name
Tris(dibenzylideneacetone)dipalladium(0)
Purity
97%
Packaging
5g
Price
$383
Updated
2024/03/01
Sigma-Aldrich
Product number
919772
Product name
Tris(dibenzylideneacetone)dipalladium(0) ChemBeads
Packaging
250MG
Price
$119
Updated
2023/06/20
Sigma-Aldrich
Product number
919772
Product name
Tris(dibenzylideneacetone)dipalladium(0) ChemBeads
Packaging
1G
Price
$299
Updated
2023/06/20
TCI Chemical
Product number
T2184
Product name
Tris(dibenzylideneacetone)dipalladium(0)
Purity
>75.0%(T)
Packaging
1g
Price
$175
Updated
2024/03/01
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Tris(dibenzylideneacetone)dipalladium Chemical Properties,Usage,Production

Description

Tris(dibenzylideneacetone) dipalladium (Tris DBA) is used as catalyst for a wide variety of Pd catalyzed reactions including Suzuki coupling, Heck coupling, Negishi coupling, Carroll reaarangement, Trost asymmetric allylic alkylation, Buchwald-Hartwig amination of acryl halides, fluorination of allylic chlorides, arylation of ketones, carbonylation of 1,1-dichloro-1-alkenes, ?-arylation of carboxylic esters, and conversion of aryl and vinyl triflates to aryl and vinyl halides. It is also involved in the synthesis of azepane. Tris DBA is also a novel inhibitor of N-myristoyltransferase-1 with significant antitumor activity.

Uses

Tris(dibenzylideneacetone)dipalladium is used in the preparation of semiconducting polymers processed from nonchlorinated solvents into high performance thin film transistors. Also used in the synthesis of polymer bulk-heterojunction solar sells as a semiconductor.

Reactions

1. Catalyst precursor for conversion of aryl chlorides, triflates, and nonaflates to nitroaromatics.
2. Catalyst for the synthesis of epoxides.
3. Catalytic asymmetric allylic and homoallylic diamination of terminal olefins.
4. Site-selective benzylic sp3 palladium-catalyzed direct arylation.
5. Palladium-catalyzed one-pot synthesis of tricyclic indolines.
6. Active catalyst for the Suzuki-Miyaura coupling of 2-pyridyl nucleophiles.
7. Catalyst in combination with BINAP for the asymmetric Heck Arylation of olefins.
8. Precursor for palladium-catalyzed carbon-nitrigen bond formation.
9. Catalyst for α-arylation of ketones,
10. Cross-coupling of aryl halides with aryl boronic acids.

References

  1. https://en.wikipedia.org/wiki/Tris(dibenzylideneacetone)dipalladium(0)
  2. http://www.sigmaaldrich.com
  3. https://www.alfa.com
  4. https://pubchem.ncbi.nlm.nih.gov
  5. S. S. Bhandarkar, J. Bromberg, C. Carrillo, P. Selvakumar, R. K. Sharma, B. N. Perry, B. Govindarajan, L. Fried, A. Sohn, K. Reddy and J. L. Arbiser, Tris (Dibenzylideneacetone) Dipalladium, a N-Myristoyltransferase-1 Inhibitor, Is Effective against Melanoma Growth In vitro and In vivo, Clinical Cancer Research, 2008, vol. 18, 5743-5748

Chemical Properties

dark purple solid

Uses

suzuki reaction

Uses

A cycloaddition catalyst.

Uses

Tris(dibenzylideneacetone)dipalladium is used in the preparation of semiconducting polymers processed from nonchlorinated solvents into high performance thin film transistors. It is also used as a semiconductor in the synthesis of polymer bulk-heterojunction solar cells.

Preparation

First reported in 1970,Tris(dibenzylideneacetone)dipalladium(0)  is prepared from dibenzylideneacetone and sodium tetrachloropalladate. Because it is commonly recrystallized from chloroform, the complex is often supplied as the adduct [Pd2(dba)3·CHCl3].The purity of samples can be variable.

General Description

Tris(dibenzylideneacetone)dipalladium(0) (Pd2(dba)3) participates in the synthesis of azepane. Crystal structure of Pd2(dba)3 has been determined by three-dimensional X-ray data. Crystals of Pd2(dba)3 are reported to crystalize in triclinic system. It is widely used Pd(0) source in Pd-mediated transformations.

Structure and conformation

In [Pd2(dba)3], the pair of Pd atoms are separated by 320 pm but are tied together by dba units.The Pd(0) centres are bound to the alkene parts of the dba ligands. 

Tris(dibenzylideneacetone)dipalladium Preparation Products And Raw materials

Raw materials

Preparation Products

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Tris(dibenzylideneacetone)dipalladium Suppliers

Shaanxi Rock New Materials Co., Ltd.
Tel
0917-8888777, 3380777,18691786767; 15619786767
Email
xuya@bjrock.com
Country
China
ProdList
310
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62
WuHan Taiyukaishang Chemical Co., Ltd.
Tel
027-027-87680032 18963957250
Fax
027-87680032 -8016
Email
taiyuchem@163.com
Country
China
ProdList
108
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55
Beijing Guofang Dingsheng Technology Co., Ltd.
Tel
18610472091 18610472091
Fax
010-59092859
Email
gfdskj@163.com
Country
China
ProdList
494
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58
Wu Han Lbpchem Chemical Co., Ltd.
Tel
02763499399 13797220777
Email
lpbchem@163.com
Country
China
ProdList
99
Advantage
58
Wuhan Huahan Dingcheng New Material Technology Co., Ltd
Tel
+86-027-81388558 18963961905
Email
huahandingcheng@sina.com
Country
China
ProdList
91
Advantage
58
Wuhan Jiade Ruifeng New Materials Co., Ltd
Tel
18271874579; 18271874579
Email
2176439072@qq.com
Country
China
ProdList
268
Advantage
58
Shanghai Chiral Chemistry Co.,Ltd
Tel
021-34621844 17301717660
Email
404352994@qq.com
Country
China
ProdList
16
Advantage
58
Wuhan Houshuang Technology Co., Ltd
Tel
13080686708
Email
houshuangchem@163.com
Country
China
ProdList
77
Advantage
58
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
94657
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
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View Lastest Price from Tris(dibenzylideneacetone)dipalladium manufacturers

Hebei Dangtong Import and export Co LTD
Product
Tris(dibenzylideneacetone)dipalladium 51364-51-3
Price
US $12.00-7.00/g
Min. Order
1g
Purity
99%
Supply Ability
500
Release date
2023-09-14
Shanghai Daken Advanced Materials Co.,Ltd
Product
Tris(dibenzylideneacetone)dipalladium 51364-51-3
Price
US $0.00/KG
Min. Order
1KG
Purity
98.00%
Supply Ability
100KG /month
Release date
2021-11-05
Henan Fengda Chemical Co., Ltd
Product
Tris(dibenzylideneacetone)dipalladium 51364-51-3
Price
US $100.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-23

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