Cyclopentadienyl(neopentylcyclopentadienyl)iron

Base Information

• Chemical Name: Cyclopentadienyl(neopentylcyclopentadienyl)iron
• CAS No.: 1277-58-3
• Molecular Formula: C15H20 Fe
• Molecular Weight: 256.171
• Mol file: 1277-58-3.mol

Synonyms:cyclopentadienyl(neopentylcyclopentadienyl)iron

Chemical Property of Cyclopentadienyl(neopentylcyclopentadienyl)iron

Chemical Property:

• Vapor Pressure: 1.71mmHg at 25°C
• Boiling Point: 173.2°C at 760 mmHg
• Flash Point: 44.2°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 256.091436
• Heavy Atom Count: 16
• Complexity: 147

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]

Technology Process of Cyclopentadienyl(neopentylcyclopentadienyl)iron

There total 3 articles about Cyclopentadienyl(neopentylcyclopentadienyl)iron which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

(tert-butyl)ferrocenylmethanol + dimethyl sulfide borane (13292-87-0) → 1-(2,2-dimethylpropyl)ferrocenium (1277-58-3)

Guidance literature:

In tetrahydrofuran; 3 equiv of borane, THF, reflux, 4 h;

DOI:10.1016/S0022-328X(01)00936-6

Reference yield:

(2,2-dimethylpropionyl)ferrocene → 1-(2,2-dimethylpropyl)ferrocenium (1277-58-3)

Guidance literature:

With hydrogen bromide; mercury; zinc; In hydrogen bromide; acetic acid; Clemmensen reduction; slight warming with Zn amalgam and mixt. of glacial acetic acid and concd. HBr or reaction at ambient temp.;;

DOI:10.1021/jo01015a047

Reference yield:

(tert-butyl)ferrocenylmethanol → 1-(2,2-dimethylpropyl)ferrocenium (1277-58-3)

Guidance literature:

In not given; Clemmensen reduction;;

DOI:10.1021/jo01015a047

upstream raw materials:

dimethyl sulfide borane

Downstream raw materials:

ferrocene