IRON(lll) t-BUTOXIDE

• CAS: 620945-29-1
• Catalog Number: ACM620945291
• Category: Main Products
• Molecular Weight: 550.372
• Molecular Formula: C24H54Fe2O6
• Description: Iron(III) t-butoxide is a dark red solid that is soluble in nonpolar solvents such as hydrocarbons. It is primarily used as a precursor for the synthesis of other iron-containing compounds, particularly in organometallic chemistry and catalysis. It can serve as a catalyst in various organic transformations, including polymerizations, oxidations, and cross-coupling reactions.
• Synonyms: Fe2(O(t)Bu)6, Fe2(OtBu6), IRON-(III)-TERT-BUTOXIDE
• IUPAC Name: iron(3+); 2-methylpropan-2-olate
• Canonical SMILES: CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Fe+3].[Fe+3]
• InChI: InChI=1S/6C4H9O.2Fe/c6*1-4(2,3)5;;/h6*1-3H3;;/q6*-1;2*+3
• InChI Key: ONEXOPWYODWZIM-UHFFFAOYSA-N
• Appearance: Yellow to green crystalline powder
• Application: Iron(III) tert-butoxide was applied as a single source (both Fe and O) precursor for the deposition of nanocrystalline hematite (Fe2O3) or magnetite (Fe3O4) films by low-pressure CVD. Fe3O4 and Fe2O3 layers deposited on glass substrates were transparent to the visible light, as was determined from the absorption spectra.
• Storage: Store at 2-8 ℃
• Composition: C = 51.43%, H = 9.73%
• Exact Mass: 550.262
• Hazard Codes: F, Xi
• Hazard Statements: H228-H315-H319-H335
• Monoisotopic Mass: 550.262
• PSA: 138.36
• Sensitivity: air, moisture
• WGK Germany: 3
• XLogP3: 7.5898

Case Study

Iron(III) tert-butoxide used for synthesis iron(III) alkoxide via ligand exchange reaction

Dietrich S, et al. Zeitschrift für anorganische und allgemeine Chemie, 2018, 644(3): 180-185.

A series of bulky iron(III) alkoxides was synthesized by a ligand exchange reaction using [Fe(OtBu)3]2 and 2,4-dimethylpentan-3-ol (HOdp).
Synthetic procedures for iron(III) alkoxides
· Due to the +I effect of the tBu group the tert-butoxy ligand is more basic than primary or secondary alkoxides and was used to introduce 2,4-dimethylpentan-3-ol (HOdp) alkoxide ligands by an acid base reaction with the secondary alcohol as shown in Scheme 1.
· Its steric demand is expected to prevent the formation of polynuclear clusters, in contrast for methoxide or ethoxide; the large alkyl groups provide solubility in non-polar solvents.