Acetylacetonate anion

Base Information

• Chemical Name: Acetylacetonate anion
• CAS No.: 17272-66-1
• Molecular Formula: C5H7 O2
• Molecular Weight: 99.1094
• DSSTox Substance ID: DTXSID701314641
• Nikkaji Number: J1.727.810J
• Mol file: 17272-66-1.mol

Synonyms:Acetylacetonate anion;DTXSID701314641;(E)-4-Oxylato-3-pentene-2-one

Chemical Property of Acetylacetonate anion

Chemical Property:

• Vapor Pressure: 6.745mmHg at 25°C
• Melting Point: 284oC (decomposes)
• Boiling Point: 187.6°Cat760mmHg
• Flash Point: 71.9°C
• PSA: 40.13000
• Density: g/cm³
• LogP: 0.90970
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 99.044604462
• Heavy Atom Count: 7
• Complexity: 90.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)C)[O-]
• Isomeric SMILES: C/C(=C\C(=O)C)/[O-]

Technology Process of Acetylacetonate anion

There total 2 articles about Acetylacetonate anion 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:

cobalt(III) acetylacetonate → bis-acetylacetonatocobalt(II) dihydrate + acetylacetonate (17272-66-1) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

ruthenium(II) (S(-)-((Ph)C(H)(CH₃)N(H)C(O)C₅H₃N)2)3Cl₂*6H₂O; In ethanol; water; Irradiation (UV/VIS); Irradiation of a degassed aq. ethanol soln. of Co(acac)3 and Ru(C10H6N2(CONHCHCH3C6H5)2)3(2+).; Absorption spectroscopy, max. enantioselectivity 1.54 (λ/δ).; Kinetics;

Reference yield:

cobalt(III) acetylacetonate + 1-Benzyl-1,4-dihydronicotinamide (952-92-1) → acetylacetonate (17272-66-1) + 1-benzyl-3-carbamoylpyridinium ion (16183-83-8) + cobalt acetylacetonate

Guidance literature:

With sodium dodecyl-sulfate; In methanol; water; Irradiation (UV/VIS); soln. Co(acac)3, BNAH and sodium dodecylsulphate (4% v/v MeOH-H2O) irradiated in N2 atm. at 30°C; Kinetics;

DOI:10.1039/c39840000787

Reference yield: 87.0%

acetylacetonate (17272-66-1) + methyl 4,6-O-benzylidene-2,3-dideoxy-2-nitro-β-D-erythro hex-2-enopyranoside (85761-14-4) → methyl 4,6-O-benzylidene-2,3-dideoxy-3-C-diacetylmethyl-2-nitro-β-D-glucopyranoside (85761-17-7)

Guidance literature:

DOI:10.1016/S0040-4039(00)85890-6

upstream raw materials:

1-Benzyl-1,4-dihydronicotinamide

Downstream raw materials:

methyl 4,6-O-benzylidene-2,3-dideoxy-3-C-diacetylmethyl-2-nitro-β-D-glucopyranoside

benzoimidazole

acetic acid

4-hydroxy-4-phenylbut-3-en-2-one

Refernces

Synthesis and structural characterization of di-μ-phenoxo-bridged dinuclear iron(III) complexes with ferromagnetic or weak antiferromagnetic coupling

10.1246/bcsj.74.1425

The research focused on the synthesis and structural characterization of di-μ-phenoxo-bridged dinuclear iron(III) complexes with either ferromagnetic or weak antiferromagnetic coupling. The purpose of the study was to understand the magneto-structural relationships in iron systems, which are relevant to biological iron-containing proteins. The researchers synthesized a series of complexes using N-salicylidene-2-hydroxy-5-bromobenzylamine (H2La), N-salicylidene-2-hydroxy-5-chlorobenzylamine (H2Lb), and N-salicylidene-2-hydroxybenzylamine (H2Lc) as tridentate Schiff-base ligands, along with various exogenous ligands such as acetate, benzoate, pivalate, diphenyl phosphate, and acetylacetonate.

Synthesis, structure, and reactivity of O-donor Ir(III) complexes: C-H activation studies with benzene

10.1021/ja051532o

The research investigates the synthesis, structure, and reactivity of various thermally air- and water-stable alkyl and aryl analogues of (acac-O,O)2Ir(R)(L) complexes, focusing on their C-H activation properties with benzene. The purpose is to understand the detailed reaction chemistry of these complexes to design more effective, stable catalysts for hydrocarbon conversion. Key chemicals used include acetylacetonate (acac), pyridine (Py), and various alkyl and aryl groups (R). The study concludes that these complexes undergo ligand exchange and C-H activation via specific intermediates and mechanisms. The C-H activation involves four key steps: loss of pyridine, isomerization to a cis-intermediate, coordination with benzene, and rapid C-H cleavage. The research highlights the potential of O-donor ligands in stabilizing these complexes and facilitating C-H activation, suggesting their use in developing efficient catalysts for hydrocarbon conversion.

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