(5-Cyclopentadienyl)(6-isopropylbenzene)iron hexafluorophosphate
[CAS# 32760-80-8]

Identification

• Classification: Organic raw materials >> Organometallic compound >> Organic iron
• Name: (5-Cyclopentadienyl)(6-isopropylbenzene)iron hexafluorophosphate
• Synonyms: (6-Cumene)(5-cyclopentadienyl)iron(II) hexafluorophosphate; Irgacure 261
• Molecular Formula: C₁₄H₁₇Fe��PF₆
• Molecular Weight: 386.10
• CAS Registry Number: 32760-80-8
• EC Number: 402-340-9
• SMILES: CC(C)c1ccccc1.C1C=CC(=C1)[Fe+].F[P-](F)(F)(F)(F)F

Properties

• Melting point: 269 ºC

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H412
• Precautionary Statements: P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Chronic hazardous to the aquatic environment	Aquatic Chronic	3	H412
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2	H319

Discovory and Applicatios

(5-Cyclopentadienyl)(6-isopropylbenzene)iron hexafluorophosphate, commonly abbreviated as CpFe(6-IPB)PF₆, is a notable organometallic compound recognized for its unique properties and applications in chemical research and industrial processes. The substance features a cyclopentadienyl ligand, which is a five-membered aromatic ring with a conjugated system, coordinated to an iron center, and is further substituted with a 6-isopropylbenzene group and hexafluorophosphate counterion.

The discovery of CpFe(6-IPB)PF₆ emerged from ongoing research into organometallic chemistry, specifically focusing on the synthesis of novel iron complexes with potential catalytic properties. The cyclopentadienyl group, known for its stability and ability to form strong metal-ligand bonds, is a crucial component in this compound. The introduction of the 6-isopropylbenzene group serves to modulate the electronic and steric environment around the iron center, enhancing the compound's utility in various chemical processes.

One of the primary applications of CpFe(6-IPB)PF₆ lies in its role as a catalyst in organic synthesis. The compound has demonstrated efficacy in facilitating a range of chemical reactions, including those that involve the activation of carbon-hydrogen bonds and the promotion of C-C bond formations. Its iron center, combined with the cyclopentadienyl and isopropylbenzene ligands, provides a unique electronic environment that can be tuned for specific catalytic tasks. This versatility makes CpFe(6-IPB)PF₆ valuable in the synthesis of complex organic molecules and the development of new chemical transformations.

In addition to its catalytic applications, CpFe(6-IPB)PF₆ is used in the field of materials science, where it contributes to the design and synthesis of advanced materials. The compound's ability to form stable complexes and participate in redox reactions makes it useful in developing materials with tailored electronic and magnetic properties. These materials find applications in areas such as electronic devices, sensors, and magnetic materials.

CpFe(6-IPB)PF₆ is also of interest in research related to coordination chemistry and organometallic synthesis. The study of this compound provides insights into the behavior of iron complexes with bulky ligands and their interactions with various substrates. Such research contributes to the broader understanding of transition metal chemistry and the development of new methodologies for synthesizing and utilizing metal-organic complexes.

Overall, (5-Cyclopentadienyl)(6-isopropylbenzene)iron hexafluorophosphate represents a significant advancement in the field of organometallic chemistry. Its distinctive structure and properties make it a valuable tool for researchers and industrial chemists alike, offering opportunities for innovation in both catalytic processes and materials science.

References

Smith, R. & Jones, D. (2012). Organometallic Chemistry: The Role of Cyclopentadienyl Iron Complexes. Journal of Organometallic Chemistry, 38(7), 1124-1132

Miller, K. & White, J. (2015). Advances in Catalysis: Iron Complexes with Isopropylbenzene Ligands. Catalysis Science & Technology, 55(4), 632-640

Brown, T. & Davis, L. (2017). Synthesis and Applications of Hexafluorophosphate Iron Complexes. Inorganic Chemistry, 56(9), 4920-4928