allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+);chloride

Basic Information

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CAS Number

478980-03-9

Molecular Formula

C30H41ClN2Pd

Molecular Weight

571.55 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

>300 °C

Boiling Point

No data available

Flash Point

No data available

Vapor Pressure

No data available

SMILES

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CC(C1=CC=CC(C(C)C)=C1N2C=CN(C(C(C(C)C)=CC=C3)=C3C(C)C)/C2=[Pd](Cl)/CC=C)C

InChI

InChI=1S/C27H36N2.C3H5.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;1-3-2;;/h9-16,18-21H,1-8H3;3H,1-2H2;1H;/q;;;+1/p-1

InChIKey

SCISXDQUNWTGKI-UHFFFAOYSA-M

LogP

9.669889999999997

Topological Polar Surface Area

9.86 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

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

Storage Conditions

under inert gas (nitrogen or Argon) at 2–8 °C

Synonyms & References

English

Allylchloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]palladium(II)
Allyl[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloropalladium(II)
[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]chloro(η3-2-propen-1-yl)palladium
Allylchloro[1,3-bis(2,6-di-i-propylphenyl)-imidazol-2-ylidene]palladium(II)
C30H41ClN2Pd
(NHC)Pd(allyl)Cl
allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+);chloride
[1,3-bis(2,6-diisopropylphenyl)-2H-imidazol-2-yl]-chloro-palladium
Allylchloro[1,3-bis(2,6-di-i-propylphenyl)
imidazol-2-ylidene]palladium(II)
ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98
PALLADIUM(II)
ALLYLCHLORO[1,3-BIS-(DIISOPROPYLPHENYL)-IMIDAZOLE-2-YLIDENE]PALLADIUM(II)
Allylchloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]palladium
Allyl[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloropalladium(II) 98%

MDL Number

MFCD08561131

Customs Code

28439000

FAQ

What are the physical and chemical properties of allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+) chloride (CAS: 478980-03-9)?

Allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+) chloride is a solid with a crystalline form. The molecular weight is approximately 813.4 g/mol. It has low solubility in common organic solvents. Chemically, it is highly reactive, particularly towards olefins, making it useful in various catalytic reactions. This compound is often employed in cross-coupling reactions and olefin metathesis. Its reactivity comes from the palladium center and the allyl ligand.

How is allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+) chloride (CAS: 478980-03-9) typically synthesized?

Allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+) chloride is synthesized using a palladium catalytic system. Commonly, the synthesis involves the reaction of palladium(0) precursors with 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene ligand and allyl halides. The reaction requires mild conditions, often performed in the presence of an appropriate base and solvent. High selectivity and yield are typically achieved.

What industries use allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+) chloride (CAS: 478980-03-9)?

Allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+) chloride is used in various industries due to its reactivity and catalytic properties. It is commonly employed in the pharmaceutical industry for the synthesis of complex organic molecules. In the polymer industry, it is used as a catalyst for olefin polymerization and metathesis. Additionally, it finds applications in the production of electronic materials and sensors.

What precautions should be taken when handling allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+) chloride (CAS: 478980-03-9)?

When handling allyl-[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]palladium(1+) chloride, it is essential to use personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and storage information.