Description

Iron(1+), Carbonyl(.Eta.5-2,4-Cyclopentadien-1-Yl)(Isocyanomethane)(Isocyanomethyl)Benzene-, Hexafluorophosphate(1-) is a specialized organometallic complex featuring a cationic iron center coordinated to carbonyl, cyclopentadienyl, and isocyanide ligands, with a hexafluorophosphate counterion. This compound matters as a versatile precursor and catalyst in advanced synthetic chemistry, offering unique reactivity for constructing complex molecular architectures. It is primarily needed by researchers and manufacturers in the pharmaceutical, agrochemical, and materials science industries for developing novel catalysts, ligands, and functional materials.

Application

• Catalysis Research: Serves as a key precursor or catalyst in homogeneous catalysis, particularly for C-H activation and cross-coupling reactions.
• Pharmaceutical Intermediate Synthesis: Used in the development and scale-up of complex active pharmaceutical ingredients (APIs) requiring specialized organometallic transformations.
• Advanced Material Development: Acts as a building block for creating novel metal-organic frameworks (MOFs), polymers, or surface coatings with tailored properties.
• Ligand Synthesis & Modification: Provides a platform for synthesizing new, sophisticated isocyanide-based ligands for transition metal catalysis.
• Agrochemical Research: Employed in the synthesis of novel compounds with potential biological activity for crop protection.
• Academic & Industrial R&D: A valuable reagent for mechanistic studies and exploring new reaction pathways in organometallic and coordination chemistry.

Basic Information

Item	Details
Product Name	Iron(1+), Carbonyl(.Eta.5-2,4-Cyclopentadien-1-Yl)(Isocyanomethane)(Isocyanomethyl)Benzene-, Hexafluorophosphate(1-)
CAS No.	77781-58-9
Molecular Formula	C16H13FeN2OPF6
Molecular Weight	450.11 g/mol (Calculated)
Synonyms	[(η5-Cyclopentadienyl)(carbonyl)(methyl isocyanide)(isocyanomethylbenzene)iron] Hexafluorophosphate; CpFe(CO)(CNMe)(CNCH2Ph)PF6; Iron Cyclopentadienyl Carbonyl Isocyanide Complex Hexafluorophosphate Salt; Cationic Iron Isocyanide Complex; (Cyclopentadienyl)iron(II) complex with CO, methyl isocyanide, and benzyl isocyanide, PF6 salt
EINECS	Contact for details

Quality Control

Our Iron(1+), Carbonyl(.Eta.5-2,4-Cyclopentadien-1-Yl)(Isocyanomethane)(Isocyanomethyl)Benzene-, Hexafluorophosphate(1-) is produced under controlled conditions to ensure batch-to-batch consistency and high purity. Each lot undergoes rigorous analytical testing, including NMR, IR spectroscopy, and HPLC analysis, to confirm identity and purity. Certificates of Analysis (COA) documenting all relevant specifications are available upon request to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and easily oxidized; for long-term storage, it is recommended to keep the container under an inert atmosphere (argon or nitrogen) in a desiccator.

Specification

Item	Specification
Appearance	Orange to red-brown crystalline or microcrystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.