95865-47-7

Basic information

• Product Name: dicarbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptene-1-carbonyl)iron
• Synonyms: dicarbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptene-1-carbonyl)iron
• CAS NO: 95865-47-7
• Molecular Weight: 330.164
• Mol File: 95865-47-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: dicarbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptene-1-carbonyl)iron(CAS DataBase Reference)
• NIST Chemistry Reference: dicarbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptene-1-carbonyl)iron(95865-47-7)
• EPA Substance Registry System: dicarbonyl(η5-cyclopentadienyl)(η1-7-methoxycycloheptene-1-carbonyl)iron(95865-47-7)

Safety Data

• Hazardous Substances Data: 95865-47-7(Hazardous Substances Data)

Upstream product

• 1282-37-7 ferrocenium(III) tetrafluoroborate 
• 95865-41-1 dicarbonyl(η5-cyclopentadienyl)(η1-7-methoxy-1-cycloheptenyl)iron 

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.