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Bis(3,5,3,5-dimethoxydibenzylideneacetone)palladium(0)

Bis(3,5,3,5-dimethoxydibenzylideneacetone)palladium(0)

Inquiry

Molecular Formula:

C42H44O10Pd

Molecular Weight:

815.21

CAS Number:

811862-77-8

Catalog Number:

811862-77-8

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

814.19693 g/mol

Monoisotopic Mass

814.19693 g/mol

Topological Polar Surface Area

108Å²

Heavy Atom Count

Formal Charge

Complexity

421

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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