Tris(dibenzylideneacetone)dipalladium(0)-chloroform adduct - 98%, high purity , CAS No.52522-40-4

Item Number

T104511

Grouped product items
SKU	Size	Availability	Price	Qty
T104511-250mg	250mg	3	$32.90	+-
T104511-500mg	500mg	3	$58.90	+-
T104511-1g	1g	3	$91.90	+-
T104511-5g	5g	6	$412.90	+-
T104511-25g	25g	1	$1,858.90	+-

Basic Description

Synonyms	PD2(DBA)3 CHCL3 \| AC-4987 \| Pd2(dba)3 . CHCl3 \| MFCD00075479 \| Pd2(dba)3.CHCl3 \| LS-0003 \| Tris(dibenylideneacetone)dipalladium-chloroform \| AKOS015900276 \| F10006 \| Pd2(dba)3⋅CHCl3 \| tris(dibenzylideneacetone)(chloroform)-di-palladium(0) \| tris(dibenzyli
Specifications & Purity	≥98%
Shipped In	Normal

Names and Identifiers

Pubchem Sid	504765905
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765905
IUPAC Name	chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
INCHI	InChI=1S/3C17H14O.CHCl3.2Pd/c318-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h31-14H;1H;;/b3*13-11+,14-12+;;;
InChi Key	LNAMMBFJMYMQTO-FNEBRGMMSA-N
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]
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.C(Cl)(Cl)Cl.[Pd].[Pd]
WGK Germany	3
PubChem CID	11029508
Molecular Weight	1035.1

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
I1614014	Certificate of Analysis	May 09, 2024	T104511
B2528137	Certificate of Analysis	Sep 08, 2022	T104511
K2203255	Certificate of Analysis	Sep 08, 2022	T104511
K2203256	Certificate of Analysis	Sep 08, 2022	T104511
K2203257	Certificate of Analysis	Sep 08, 2022	T104511
K2203258	Certificate of Analysis	Sep 08, 2022	T104511

Chemical and Physical Properties

Melt Point(°C)	131-135°C
Molecular Weight	1035.099 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	1034.04 Da
Monoisotopic Mass	1032.03 Da
Topological Polar Surface Area	51.200 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	280.000
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	6

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H351:Suspected of causing cancer H373:Causes damage to organs through prolonged or repeated exposure H302:Harmful if swallowed
Precautionary Statements	P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P270:Do not eat, drink or smoke when using this product. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P203:Obtain, read and follow all safety instructions before use. P301+P317:IF SWALLOWED: Get medical help. P318:if exposed or concerned, get medical advice. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	3

References

1. Santos Fustero,María Sanchez-Roselló,Vanessa Rodrigo,Carlos del Pozo,Juan F Sanz-Cervera,Antonio Simón,Carmen Ramírez de Arellano. (2006-08-25) Asymmetric synthesis of new beta,beta-difluorinated cyclic quaternary alpha-amino acid derivatives.. Organic letters, 8 ((18)): (4129-4132). [PMID:16928091]
2. Natasha Cheeseman,Martin Fox,Mark Jackson,Ian C Lennon,Graham Meek. (2004-02-13) An efficient, palladium-catalyzed, enantioselective synthesis of (2R)-3-butene-1,2-diol and its use in highly selective Heck reactions.. Proceedings of the National Academy of Sciences of the United States of America, 101 ((15)): (5396-5399). [PMID:14960731]

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Basic Description