Bis(3,5,3,5-dimethoxydibenzylideneacetone)palladium(0)
Product Information
Molecular Formula
C42H44O10Pd
Molecular Weight
815.21
Description
Bis(3,5,3,5-dimethoxydibenzylideneacetone)palladium(0) is an indispensable palladium-derived compound within the biomedical domain. Acting as a catalyst in diverse chemical reactions, encompassing cross-coupling reactions and organic synthesis, this product captures attention for its potential in cancer therapy, precisely annihilating tumor cells through targeted anticancer mechanisms.
Synonyms
Pd(dmdba)2
IUPAC Name
(1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-onepalladium
SMILES
COC1=CC(=CC(=C1)C=CC(=O)C=CC2=CC(=CC(=C2)OC)OC)OC.COC1=CC(=CC(=C1)C=CC(=O)C=CC2=CC(=CC(=C2)OC)OC)OC.[Pd]
InChI
InChI=1S/2C21H22O5.Pd/c2*1-23-18-9-15(10-19(13-18)24-2)5-7-17(22)8-6-16-11-20(25-3)14-21(12-16)26-4/h2*5-14H,1-4H3/b2*7-5+,8-6+
InChI Key
RTGAJOPJZJDWAX-XVGSOSPHSA-N
Melting Point
170-178 °C (lit.)
Purity
96%
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
16
Exact Mass
814.19693 g/mol
Monoisotopic Mass
814.19693 g/mol
Topological Polar Surface Area
108Ų
Heavy Atom Count
53
Formal Charge
0
Complexity
421
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 |
|---|---|---|
| WO-2021263203-A1 | Cxcr4 inhibitors and uses thereof | 2020-06-26 |
| WO-2021062035-A1 | Luminescent materials and methods thereof | 2019-09-27 |
| US-2020199114-A1 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | 2018-10-18 |
| EP-3699173-A1 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | 2018-10-18 |
| US-11214568-B2 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | 2018-10-18 |
| JP-2018108937-A | Palladium-mediated ketolization | 2016-11-11 |
| US-10392400-B2 | Palladium-mediated ketolization | 2016-11-11 |
| US-2018155361-A1 | Palladium-mediated ketolization | 2016-11-11 |
| US-2020002352-A1 | Palladium-mediated ketolization | 2016-11-11 |
| US-10844073-B2 | Palladium-mediated ketolization | 2016-11-11 |
