174904-11-1

Basic information

• Product Name: [Fe(C_.tplbond.C-CH₂CH₂-CN)(dppe)(C₅H₅)]
• CAS NO: 174904-11-1
• Molecular Weight: 597.459
• Mol File: 174904-11-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [Fe(C_.tplbond.C-CH₂CH₂-CN)(dppe)(C₅H₅)](CAS DataBase Reference)
• NIST Chemistry Reference: [Fe(C_.tplbond.C-CH₂CH₂-CN)(dppe)(C₅H₅)](174904-11-1)
• EPA Substance Registry System: [Fe(C_.tplbond.C-CH₂CH₂-CN)(dppe)(C₅H₅)](174904-11-1)

Safety Data

• Hazardous Substances Data: 174904-11-1(Hazardous Substances Data)

Upstream product

• 174904-07-5 [(C₅H₅)(dppe)Fe=C=CH-CH₂-CH₂-CN]⁽¹⁺⁾ 
• 12107-04-9 dicarbonyl(cyclopentadienyl)iron(II) chloride 
• 19596-07-7 pent-4-ynenitrile 
• 1663-45-2 1,2-bis-(diphenylphosphino)ethane 

Downstream Products

• 174904-09-7 [(C₅H₅)(dppe)Fe=C=CH-CH₂-CH₂-CN][PF₆] 
• 174904-08-6 [(C₅H₅)(dppe)Fe=C=CH-CH₂-CH₂-CN][BF₄] 

Relevant articles and documents

Comparison of the oxidation of dinuclear cyclopentadienyl iron diphosphine complexes with the bridging ligands -CN and -C≡C(CH2)2CN

The alkynyliron complex [Fe(C≡C-CH2CH2-CN)(dppe)(C5H5)] (2) (dppe = Ph2PCH2CH2PPh2), prepared from [Fe(C≡C-CH2CH2-CN)(CO)2(C5H5)] (1) and dppe under UV irradiation, reacted with HBF4 Et2O in tetrahydrofuran and with NH4[PF6] in CH2Cl2 to give the cationic vinylidene derivative [Fe(=C=CH-CH2CH2-CN)(dppe)(C5H5)][A] (A = BF4 (3a) or PF6 (3b)), which can be reconverted to 2 with K2CO3 in CH2Cl2. The compound [(C5H5)(dppe)Fe-NC-CH2CH2-C≡CH][PF6] (4), which is a tautomeric form of 3 was prepared by reaction of [Fe(I)(dppe)(C5H5)] with the alkyne HC≡C-CH2CH2CN in the presence of NH4[PF6] in CH2Cl2. The dinuclear compound [(C5H5)(dppe)Fe-C≡C-CH2CH2-CN-Fe(dppe)(C5H5)][PF6] (5), which is unstable, can be formed by reaction of 2 with [Fe(NCMe)(dppe)(C5H5)] PF6 in CH2Cl2. Its electrochemical oxidation shows that there is no electronic interaction between the two metal centres. Extended Hckel molecular orbital calculations have been carried out on the model complexes [(C5H5)(PH3)2Fe-C≡C-CH2CH2-CN-Fe(PH3)2(C5H5)]+ (7) and [(C5H5)(PH3)2Fe-CN-Fe(PH3)2(C5H5)]+ (8).