177340-02-2

Basic information

• Product Name: (η(4)-C5(CH2Ph)5H)Fe(CO)3
• CAS NO: 177340-02-2
• Molecular Weight: 656.604
• Mol File: 177340-02-2.mol

Chemical Properties

• CAS DataBase Reference: (η(4)-C5(CH2Ph)5H)Fe(CO)3(CAS DataBase Reference)
• NIST Chemistry Reference: (η(4)-C5(CH2Ph)5H)Fe(CO)3(177340-02-2)
• EPA Substance Registry System: (η(4)-C5(CH2Ph)5H)Fe(CO)3(177340-02-2)

Safety Data

• Hazardous Substances Data: 177340-02-2(Hazardous Substances Data)

Upstream product

• 13463-40-6 iron pentacarbonyl 
• 67209-29-4 1,2,3,4,5-pentabenzyl-1,3-cyclopentadiene 

Relevant articles and documents

Improved synthesis of pentabenzylcyclopentadiene and study of the reaction between pentabenzylcyclopentadiene and iron pentacarbonyl

An improved synthetic route to pentabenzylcyclopentadiene, C5Bz5H (1), has been developed, utilizing a larger amount of dicyclopentadiene, sodium, and excess benzyl alcohol as both reactant and solvent. Subsequent extraction and crystallization using hexane produced 1 in 62% yield. A reaction between 1 and iron pentacarbonyl in refluxing toluene led to the formation of [(η5-C5Bz5)Fe(CO)2]2 (2) and (η4-C5Bz5H)Fe(CO)3 (3). Unlike the parent compound (η4-C5H6)Fe(CO)3, 3 exhibited exceptional air and thermal stability. A single-crystal X-ray diffraction study of 3 has been undertaken and confirms the proposed structure.