Pentane-2,4-dione;zirconium(4+)

Base Information

• Chemical Name: Pentane-2,4-dione;zirconium(4+)
• CAS No.: 17501-44-9
• Molecular Formula: C20H28 O8 Zr
• Molecular Weight: 487.662
• Hs Code.: 2914 19 90
• Mol file: 17501-44-9.mol

Synonyms:SCHEMBL8141579

Chemical Property of Pentane-2,4-dione;zirconium(4+)

Chemical Property:

• Appearance/Colour: pale yellow to brown powder
• Vapor Pressure: 0-0Pa at 20-25℃
• Melting Point: 191 - 195 C
• Boiling Point: 187.6 °C at 760 mmHg
• Flash Point: 71.9 °C
• PSA: 136.56000
• Density: g/cm³
• LogP: 2.21800
• Storage Temp.: Store below +30°C.
• Solubility.: 14g/l
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 486.083117
• Heavy Atom Count: 29
• Complexity: 439

Purity/Quality:

99%min ^*data from raw suppliers

Tetrakis(2,4-pentanedionato)zirconium(IV) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: Xn
• Statements: 22-40-36/37/38-20/21/22-63
• Safety Statements: 22-24/25-36/37-26-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zr+4]
• Uses: Zirconium(IV) 2,4-pentanedionate is used as a cross-linking agent for oxygen-containing polymers. It is used as a catalyst in organic synthesis for the nitration of o-nitrotoluene using a dinitrogen pentoxide to get 2,4-dinitrotoluenes and 2,6-dinitrotoluenes. Starting material for zirconium metallomesogens: zirconium tetrakis-β-diketonate liquid crystals.

Technology Process of Pentane-2,4-dione;zirconium(4+)

There total 20 articles about Pentane-2,4-dione;zirconium(4+) 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%

tetrabenzylzirconium(IV) (24356-01-2) → zirconium(IV) acetylacetonate (17501-44-9)

Guidance literature:

With acetylacetonate; In toluene; byproducts: MePh; Ar atmosphere; 0. degree.C, 2 h (excess of C5H8O2);

DOI:10.1007/BF00995720

Reference yield: 87.0%

zirconium (7440-67-7) + acetylacetone (123-54-6,81235-32-7) → zirconium(IV) acetylacetonate (17501-44-9)

Guidance literature:

With (C₄H₉)4NBF₄; In acetonitrile; Electrolysis; reaction of Zr anode with 30% soln. of acetylacetone in CH3CN with added 0.1 M Bu4NBF4, Pt cathode; addn. of ether-acetone mixture;; pptn.; drying in vacuo; crystallization from CH3CN;;

Reference yield: 70.0%

zirconium chloride-tetrahydrofuran + acetylacetone (123-54-6,81235-32-7) → zirconium(IV) acetylacetonate (17501-44-9)

Guidance literature:

zirconium chloride-tetrahydrofuran; acetylacetone; for 2h;

With triethylamine; for 2h; Reflux;

DOI:10.1016/j.ica.2022.120864

upstream raw materials:

zirconium(IV) chloride

acetylacetone

bis(acetylacetonato)dichlorozirconium

zirconium

Downstream raw materials:

zirconium(IV) oxide