2,4-Pentanedione, ion(1-), sodium

Base Information

• Chemical Name: 2,4-Pentanedione, ion(1-), sodium
• CAS No.: 15435-71-9
• Deprecated CAS: 111252-64-3,1490-18-2,49693-21-2,89180-32-5,1029971-81-0,1391734-36-3,933454-04-7
• Molecular Formula: C5H7NaO2
• Molecular Weight: 122.099
• European Community (EC) Number: 239-448-9
• DSSTox Substance ID: DTXSID80912071
• Mol file: 15435-71-9.mol

Synonyms:15435-71-9;2,4-Pentanedione, ion(1-), sodium;sodium;pentane-2,4-dione;Sodium 2,4-dioxopentan-3-ide;2,4-Pentanedione, ion(1-), sodium (1:1);EINECS 239-448-9;Pentane-2,4-dione, monosodium salt;DTXSID80912071

Chemical Property of 2,4-Pentanedione, ion(1-), sodium

Chemical Property:

• Melting Point: 228-230°C
• PSA: 40.13000
• Density: 1.213 g/cm3
• LogP: 0.90970
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 122.03437374
• Heavy Atom Count: 8
• Complexity: 86.6

Purity/Quality:

99% ^*data from raw suppliers

Sodium acetylacetonate hydrate, min. 98% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21-36/37/38-40-65
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)[CH-]C(=O)C.[Na+]

Technology Process of 2,4-Pentanedione, ion(1-), sodium

There total 10 articles about 2,4-Pentanedione, ion(1-), sodium 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: 94.0%

acetylacetone (123-54-6,81235-32-7) → sodium acetylacetonate (15435-71-9,1118-67-8)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃;

DOI:10.1021/jm3009822

Reference yield:

acetylacetone (1522-20-9,26567-75-9,72036-58-9) → sodium acetylacetonate (15435-71-9,1118-67-8)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 0.333333h;

DOI:10.1016/j.saa.2020.119215

Reference yield:

ethyl acetate (141-78-6) + acetone (67-64-1) → sodium acetylacetonate (15435-71-9,1118-67-8)

Guidance literature:

With sodium; In diethyl ether; at -3 ℃; for 8h; Temperature; Time;

upstream raw materials:

sodium ethanolate

ethyl acetate

acetone

acetylacetone

Downstream raw materials:

2-(1-acetyl-2-oxo-propyl)-3-chloro-[1,4]naphthoquinone

6-acetyl-3,5,5-trimethyl-cyclohex-2-enone

6-Methyl-hept-5-en-2-on

acetic acid

Refernces

• 1、 Feizi-Dehnayebi, Mehran,Dehghanian, Effat,Mansouri-Torshizi, Hassan. "Synthesis and characterization of Pd(II) antitumor complex, DFT calculation and DNA/BSA binding insight through the combined experimental and theoretical aspects". . . Retrieved 2021/05/17.
• 2、 Ramasubramanian, Ramamoorthy,Anandababu, Karunanithi,M?sch-Zanetti, Nadia C.,Belaj, Ferdinand,Mayilmurugan, Ramasamy. "Bioinspired models for an unusual 3-histidine motif of diketone dioxygenase enzyme". . p. 14326 - 14336. Retrieved 2019/10/11.