115649-09-7

Basic information

• Product Name: carbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptenyl)(triphenylphosphine)iron
• Synonyms: carbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptenyl)(triphenylphosphine)iron
• CAS NO: 115649-09-7
• Molecular Weight: 536.434
• Mol File: 115649-09-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: carbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptenyl)(triphenylphosphine)iron(CAS DataBase Reference)
• NIST Chemistry Reference: carbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptenyl)(triphenylphosphine)iron(115649-09-7)
• EPA Substance Registry System: carbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptenyl)(triphenylphosphine)iron(115649-09-7)

Safety Data

• Hazardous Substances Data: 115649-09-7(Hazardous Substances Data)

Upstream product

• 95865-41-1 dicarbonyl(η5-cyclopentadienyl)(η1-7-methoxy-1-cycloheptenyl)iron 

Downstream Products

• 115649-12-2 carbonyl(η5-cyclopentadienyl)(η2-1,2-cycloheptadiene)(triphenylphosphine)iron triflate 

Relevant articles and documents

Fluxional behavior of iron complexes of 1,2-cycloheptadiene: The role of the allyl cation

The fluxional behavior of two iron complexes of 1,2-cycloheptadiene - (η5-C5H5)(CO)2Fe(η 2-1,2-cycloheptadiene)fluoroborate (5) and its Ph3P-substituted relative 13 - has been studied. At this time, we report evidence for (1) fluxionality of 5 by a Vrieze-Rosenblum mechanism (Ea = 13.9 kcal/mol), a mechanism where the chirality of the allene moiety is retained, (2) fluxionality of 13 by the same mechanism with an activation barrier about 3-4 kcal/mol higher than that for 5, (3) accessibility of an allyl cation mechanism in the latter case with Ea = ca. 23 kcal/mol, and (4) circumstantial evidence for accessibility of an allyl cation (Ea between 14.2 and 22 kcal/mol) from 5.