1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1)

Basic Information

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CAS Number

811862-77-8

Molecular Formula

C42H52O10Pd

Molecular Weight

823.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

170-178 °C

Water Solubility

Insoluble in water.

SMILES

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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/2C21H26O5.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*9-14H,5-8H2,1-4H3;

InChIKey

ULLMBNNTRAJXJK-UHFFFAOYSA-N

LogP

7.70850000000001

Topological Polar Surface Area

107.98000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 10

Complexity

421

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

J-519870
811862-77-8
Bis(3,5,3 inverted exclamation marka,5 inverted exclamation marka-dimethoxydibenzylideneacetone)palladium(0)
(1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one;palladium
bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium
Bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium(0)
AMY39363
Bis(3,5,3',5 inverted exclamation marka-dimethoxydibenzylideneacetone)palladium(0)
(1E,4E)-1,5-Bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one--palladium (2/1)
Bis(353'5'-dimethoxydibenzylideneacetone)palladium(0)
Bis(3,5,3',5?-dimethoxydibenzylideneacetone)palladium(0)
DTXSID10584705
Bis(3,5,3',5'-dimethoxydibenzylideneacetone)-palladium(0)
BCP21889
(1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one,palladium
Bis(3,5,3',5′-dimethoxydibenzylideneacetone)palladium(0)
BIS(3,5,3′,5′-DIMETHOXYDIBENZYLIDENEACETONE)PALLADIUM(0)
diMethoxydibenzylideneacetone)palladiuM(0)
Pd(dmdba)2

MDL Number

MFCD07369799

FAQ

What are the physical and chemical properties of 1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1) (CAS: 811862-77-8)?

1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1) is a crystalline compound with a molecular weight of approximately 488.4 g/mol. It has low water solubility but good solubility in organic solvents such as methanol and dichloromethane. The compound exhibits limited reactivity under normal conditions but can undergo palladium-catalyzed reactions under optimized conditions.

How is 1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1) (CAS: 811862-77-8) typically synthesized?

1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1) can be synthesized through a palladium-catalyzed coupling reaction. Typically, this involves the reaction of 1,5-bis(3,5-dimethoxyphenyl)-3-pentanone with a suitable palladinate complex under conditions that promote selective coupling, yielding the desired palladium complex. Commonly used catalysts include Pd(PPh3)4 or PdCl2(dppf).

What industries use 1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1) (CAS: 811862-77-8)?

1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1) is used in the pharmaceutical industry for the synthesis of complex molecules and functional groups. It is also employed in the polymer industry for the development of new materials with tailored properties. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical reactivity.

What precautions should be taken when handling 1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1) (CAS: 811862-77-8)?

When handling 1,5-Bis(3,5-dimethoxyphenyl)-3-pentanone - palladium (2:1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbent materials, and the area should be thoroughly washed down with water. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.