Tris(ethylacetoacetato)aluminium

• CAS: 15306-17-9
• Catalog Number: ACM15306179
• Category: Main Products
• Molecular Weight: 414.38
• Molecular Formula: C18H27AlO9
• Boiling Point: 194 - 194.5 °C
• Melting Point: 76 °C
• Appearance: Powder

Case Study

Study on the Structure of Tris(Ethyl Acetoacetate)Aluminum(III)

Kurajica, Stanislav, et al. Journal of sol-gel science and technology, 2014, 71, 217-223.

There are two stereoisomers in aluminium tris(ethyl acetoacetate), Al(C6H9O3)3 solution, meridional (mer) and facial (fac) isomers. The symmetrical fac isomer is present in lower concentrations compared to the unsymmetrical mer isomer.
· Al(C6H9O3)3 crystal structure
Al(C6H9O3)3 crystallises in monoclinic space group P21/n with lattice parameters a = 16.387(1) Å, b = 19.650(1) Å, c = 6.912(1) Å, and β = 91.91(1)° as determined by XRPD data. The molecular structure features three O,O-bidentate ethyl acetoacetate ligands that create an octahedral coordination around the aluminium atom. The molecules are linked into one-dimensional chains along the b-axis by two intermolecular hydrogen bonds.
· Synthesis of Tris(ethyl acetoacetate)aluminum(III)
For exposure to air humidity as little as possible, Asb (Al(OsC4H9)3) was added to the Eaa (C6H10O3) solution via a syringe, maintaining a molar ratio of Eaa to Asb of 3:1. The mixture was stirred in a closed reactor for 24 hours at room temperature, resulting in no precipitation. The clear solution was poured into a large Petri dish and left at room temperature to expose it to air moisture. Within 12 hours, the sample transformed into a white sticky solid. After drying for an additional five days, the solvent evaporated, and alkoxy groups were released, yielding a dry product.

β-Diketone Metal Complexes Including Aluminum(III) Tris(ethyl acetoacetate) as Catalysts for Polyurethane Synthesis

Hayami, Ryohei, et al. Material Technology, 2016, 34(1), 11-17.

The catalytic activity of several ethyl acetoacetate complexes for polyurethane synthesis, including ethyl acetoacetate complexes [(etac)n] of aluminum, copper, iron, zinc, and zirconium, was studied to explore their potential as alternatives to acetylacetone complexes [M(acac)n] and DBTDL.
· Comparison of Catalytic Activity
The results showed that acetoacetate complexes had high solubility for PPG, while acetylacetone complexes showed lower solubility. The etac complexes showed higher catalytic activity and kinetic constants compared to the corresponding acac complexes. In particular, Cu, Fe, Zn, and Zr etac catalysts were highly active, and their initial activity levels increased with increasing kinetic constants. Cu and Fe catalysts provided colored polyurethanes. However, both Al(acac)3 and Al(etac)3 showed very low activity due to the very small diameter of Al ions and the very stability of these complexes.
· Synthesis of Tris(ethyl acetoacetato)aluminum (Al(etac)3)
Aluminum trichloride was mixed with solvent (benzene). Ethyl acetoacetate or acetylacetone was added to the mixture, which was then stirred at room temperature for 1 h. Base (TEA) was slowly added to the solution at room temperature. The mixture was refluxed for 2 h and cooled to ambient temperature. The salt was filtrated and the solvent was removed under reduced pressure. The residue was purified by recrystallization from hexane (yield 85%).

Custom Q&A

What is the molecular formula of Tris(ethylacetoacetato)aluminium?

The molecular formula of Tris(ethylacetoacetato)aluminium is C18H30AlO9.

What are the synonyms of Tris(ethylacetoacetato)aluminium?

The synonyms of Tris(ethylacetoacetato)aluminium are Aluminum,O3)-, Aluminum,triethyl ester, Aluminum,3-butanedionato)-, and NSC177686.

What is the molecular weight of Tris(ethylacetoacetato)aluminium?

The molecular weight of Tris(ethylacetoacetato)aluminium is 417.4 g/mol.

What is the parent compound of Tris(ethylacetoacetato)aluminium?

The parent compound of Tris(ethylacetoacetato)aluminium is Ethyl acetoacetate.

What components are present in Tris(ethylacetoacetato)aluminium?

Tris(ethylacetoacetato)aluminium contains three components: Ethyl acetoacetate and Aluminum.

When was Tris(ethylacetoacetato)aluminium created?

Tris(ethylacetoacetato)aluminium was created on March 26, 2005.

Can you provide the InChI of Tris(ethylacetoacetato)aluminium?

The InChI of Tris(ethylacetoacetato)aluminium is InChI=1S/3C6H10O3.Al/c3*1-3-9-6(8)4-5(2)7;/h3*3-4H2,1-2H3.

What is the InChIKey of Tris(ethylacetoacetato)aluminium?

The InChIKey of Tris(ethylacetoacetato)aluminium is YYCUXGOUOHYLMU-UHFFFAOYSA-N.

What is the CAS number of Tris(ethylacetoacetato)aluminium?

The CAS number of Tris(ethylacetoacetato)aluminium is 15306-17-9.

What are the chemical and physical properties of Tris(ethylacetoacetato)aluminium?

Some of the computed properties of Tris(ethylacetoacetato)aluminium include its molecular weight (417.4 g/mol), hydrogen bond donor count (0), hydrogen bond acceptor count (9), rotatable bond count (6), topological polar surface area (130Ų), heavy atom count (28), and covalently-bonded unit count (4).