[1,3-Bis(2,6-diisopropylphenyl)-2-imidazolidinylidene](chloro)palladium - propylbenzene (1:1)

Basic Information

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CAS Number

884879-24-7

Molecular Formula

C36H50ClN2Pd

Molecular Weight

652.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

127-130 °C

Boiling Point

0°C

Flash Point

0°C

SMILES

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CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C.C=C[CH]C1=CC=CC=C1.Cl[Pd+]

InChI

InChI=1S/C27H38N2.C9H12.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-6-9-7-4-3-5-8-9;;/h9-14,18-21H,15-16H2,1-8H3;3-5,7-8H,2,6H2,1H3;1H;/q;;;+1/p-1

InChIKey

ITRBAIYFJQRUAV-UHFFFAOYSA-M

LogP

10.469599999999993

Topological Polar Surface Area

6.48 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

557

Safety Information

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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

Chloro[(1,2,3-h)-3-phenyl-2-propenyl][1,3-bis(2,6-diisopropylphenyl)-4,5-di-H-imidazol-2-ylidene]palladium(II)
Chloro[(1,2,3-H)-3-phenyl-2-propenyl][1,3-bis(2,6-diisopropylphenyl)-4,5-di-H-imidazol-2-ylidene]palladium(II), 97%
MFCD09265339
884879-24-7
Palladium,[1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene]chloro[(1,2,3-h)-3-phenyl-2-propenyl]-,stereoisomer (9CI)
[1,3-Bis(2,6-di-isopropylphenyl)-4,5-dihydroimidazol-2-ylidene]chloro][3-phenylallyl]palladium(II)
Chloro[(1,2,3-n)-3-phenyl-2-propenyl][1,3-bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II)
CHLORO[(1,2,3-N)-3-PHENYL-2-PROPENYL][1,3-BIS(2,6-DI-I-PROPYLPHENYL)-4,5-DIHYDROIMIDAZOL-2-YLIDENE]PALLADIUM(II), MIN. ...
Palladium,[1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene]chloro[(1,2,3-h)-3-phen...
Palladium,[1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene]chloro[(1,2,3-h)-3-phenyl-2-propenyl]-,stereoisomer (9
Phenylallylchloro[1,3-bis(diisopropylphenyl)-2-imi dazolidinylidene]palladium(II)
CX 32
[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene]chloro[(1,2,3-η)-3-phenyl-2-propenyl]palladium
Phenylallylchloro[1,3-bis(diisopropylphenyl)-2-imidazolidinylidene]palladium(II)

MDL Number

MFCD09265339

Customs Code

28439000

FAQ

What are the physical and chemical properties of [1,3-Bis(2,6-diisopropylphenyl)-2-imidazolidinylidene](chloro)palladium - propylbenzene (1:1) (CAS: 884879-24-7)?

The compound [1,3-Bis(2,6-diisopropylphenyl)-2-imidazolidinylidene](chloro)palladium - propylbenzene (1:1) (CAS: 884879-24-7) is a crystalline solid with a high molecular weight, around 600 g/mol. It has low solubility in water but is soluble in organic solvents like dichloromethane and toluene. Chemically, it is highly reactive, particularly towards nucleophiles and exhibits high selectivity in catalytic reactions. Yield and selectivity depend on reaction conditions.

How is [1,3-Bis(2,6-diisopropylphenyl)-2-imidazolidinylidene](chloro)palladium - propylbenzene (1:1) (CAS: 884879-24-7) typically synthesized?

The compound is synthesized by palladium-catalyzed cross-coupling reactions involving [1,3-Bis(2,6-diisopropylphenyl)-2-imidazolidinylidene] and chloropalladium - propylbenzene. Common catalysts include Pd(PPh3)4, and the reaction is typically carried out in anhydrous organic solvents under inert atmosphere. Yields are around 80-90%, with good selectivity.

What industries use [1,3-Bis(2,6-diisopropylphenyl)-2-imidazolidinylidene](chloro)palladium - propylbenzene (1:1) (CAS: 884879-24-7)?

This compound is primarily used in the pharmaceutical industry for the synthesis of chiral compounds, in the development of new catalysts for polymer synthesis, and in the production of sensitive electronic materials. It also plays a role in sensor technology for detecting volatile organic compounds.

What precautions should be taken when handling [1,3-Bis(2,6-diisopropylphenyl)-2-imidazolidinylidene](chloro)palladium - propylbenzene (1:1) (CAS: 884879-24-7)?

Handling this compound requires appropriate personal protective equipment (PPE) including gloves, lab coat, and safety glasses. It should be handled in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbents and materials should be disposed of according to the SDS (Safety Data Sheet).