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Catalog No. BCN3807
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50mg $70 In stock
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Chemical Properties of 1-Phenylbutane-1,3-dione

Cas No. 93-91-4 SDF Download SDF
Chemical Name 1-Phenylbutane-1,3-dione
SMILES CC(=O)CC(=O)c1ccccc1
Standard InChI InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
Type of Compound Phenols Appearance Powder
Formula C10H10O2 M.Wt 162.2
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other courier with RT , or blue ice upon request.

Preparing Stock Solutions of 1-Phenylbutane-1,3-dione

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 6.1652 mL 30.8261 mL 61.6523 mL 123.3046 mL 154.1307 mL
5 mM 1.233 mL 6.1652 mL 12.3305 mL 24.6609 mL 30.8261 mL
10 mM 0.6165 mL 3.0826 mL 6.1652 mL 12.3305 mL 15.4131 mL
50 mM 0.1233 mL 0.6165 mL 1.233 mL 2.4661 mL 3.0826 mL
100 mM 0.0617 mL 0.3083 mL 0.6165 mL 1.233 mL 1.5413 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

Preparation of 1-Phenylbutane-1,3-dione

This product is isolated and purified from the herbs of Canarium album

References on 1-Phenylbutane-1,3-dione

Synthesis, Characterization and Biological Studies of Metal(II) Complexes of (3E)-3-[(2-{(E)-[1-(2,4-Dihydroxyphenyl) ethylidene]amino}ethyl)imino]-1-phenylbutan-1-one Schiff Base.[Pubmed: 26023939]

Co(II), Ni(II), Zn(II) and Cu(II) complexes of (3E)-3-[(2-{(E)-[1-(2,4-dihydroxyphenyl)ethylidene]amino}ethyl)imino]-1-phenylbutan-1-one (DEPH2) derived from ethylenediamine, 2',4'-dihydroxyacetophenone and 1-phenylbutane-1,3-dione have been synthesized and characterized by elemental analysis, FTIR, UV-Visible spectroscopy, and screened to establish their potential as antibacterial agents, antioxidants and DPPH radical scavengers. The FTIR spectra showed that the ligand behaves as a dibasic tetradentate ligand with the dioxygen-dinitrogen donor atom system oriented towards the central metal ion. The analytical and spectroscopic data suggest a square planar geometry for Cu(II) and Ni(II) complexes and an octahedral geometry for the Co(II) complex. The ligand and their metal complexes were screened for antibacterial activity against Gram (+) and Gram (-) bacteria by the agar well diffusion method. In addition, the antioxidant activities of the complexes were also investigated through their scavenging effect on DPPH and ABTS radicals. The obtained IC50 value of the DPPH activity for the copper complex (2.08 ± 0.47 µM) and that of the ABTS activity for the copper complex (IC50 = 2.11 + 1.69 µM) were higher than the values obtained for the other compounds.

Solvent-free and catalyst-free Biginelli reaction to synthesize ferrocenoyl dihydropyrimidine and kinetic method to express radical-scavenging ability.[Pubmed: 22489679]

Benzoyl and ferrocenoyl 3,4-dihydropyrimidin-2(1H)-ones (-thiones) (DHPMs) were synthesized in modest yields via catalyst-free and solvent-free Biginelli condensation of 1-phenylbutane-1,3-dione or 1-ferrocenylbutane-1,3-dione, hydroxyl benzaldehyde, and urea or thiourea. This synthetic protocol revealed that catalysts may not be necessary for the self-assembling Biginelli reaction. The radical-scavenging abilities of the obtained 11 DHPMs were carried out by reacting with 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate) cationic radical (ABTS(+•)), galvinoxyl radical, and 2,2'-diphenyl-1-picrylhydrazyl radical (DPPH), respectively. The variation of the concentration of these radicals with the reaction time (t) followed exponential function, [radical] = Ae(-t/a) + Be(-t/b) + C. Then, the differential style of this equation led to the relationship between the reaction rate (r) and the reaction time (t), -d[radical]/dt = (A/a)e(-t/a) + (B/b)e(-t/b), which can be used to calculate the reaction rate at any time point. On the basis of the concept of the reaction rate, r = k[radical][antioxidant], the rate constant (k) can be calculated with the time point being t = 0. By the comparison of k of DHPMs, it can be concluded that phenolic ortho-dihydroxyl groups markedly enhanced the abilities of DHPMs to quench ABTS(+•), but the introduction of ferrocenoyl group made DHPMs efficient ABTS(+•) scavengers even in the absence of phenolic hydroxyl group. This phenomenon was also found in DHPM-scavenging galvinoxyl radical. In contrast, the ferrocenoyl group cannot enhance the abilities of DHPMs to scavenge DPPH, and phenolic ortho-dihydroxyl groups still played the key role in this case.

Modulating spin dynamics of cyclic LnIII-radical complexes (LnIII = Tb, Dy) by using phenyltrifluoroacetylacetonate coligand.[Pubmed: 22266722]

Three novel ring-like compounds formulated as [Ln(Phtfac)(3)(NITpPy)](2) (Ln(III) = Gd 1, Tb 2, Dy 3; HPhtfac = 4,4,4-trifluoro-1-phenylbutane-1,3-dione; NITpPy = 2-(4-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxyl-3-oxide) were synthesized and structurally and magnetically characterized. Three compounds possess cyclic dimer structure in which each pyridine substituted radical links two different metal ions through the oxygen of nitroxide group and the pyridine nitrogen. DC magnetic studies show the Ln(III) ion interacts ferromagnetically with the directly bonding nitronyl nitroxide. Both Tb(III) and Dy(III) clusters show frequency-dependent ac magnetic susceptibilities, indicating single-molecule magnet behavior. It is demonstrated that the β-diketonate coligand may play an important role in determining the magnetic relaxation for the lanthanide-radical system.

Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.[Pubmed: 21837343]

The treatment of ortho ring-functionalised 1-phenylbutane-1,3-dione ligands bearing nitro (Hnpd, Hnmc), methoxy (Hmmc) or fluoro (Hfpp) groups with hydrated lanthanoid salts has provided [Er(4)(μ(3)-OH)(4)(H(2)O)(2)(npd)(8)] (3), [Ln(4)(μ(3)-OH)(4)(nmc)(8)] (Ln = Gd (4), Tb (5), Dy (6) and Er (7)), [Er(4)(μ(3)-OH)(4)(mmc)(8)] (8) and [Er(4)(μ(3)-OH)(4)(H(2)O)(2)(fpp)(8)] (9), respectively. The products were all obtained as cubane clusters in the solid state, as distinct from previous diketonato clusters, with control over motif formation attributed to the steric influence of the ortho-positioned functional groups at the cluster periphery. This work highlights a means of targeting a specific lanthanoid cluster motif by the rational modification of ligands at key locations.

Quantum chemical simulations of solvent influence on UV-vis spectra and orbital shapes of azoderivatives of diphenylpropane-1,3-dione.[Pubmed: 21257339]

The DFT modeling of novel synthesized azoderivatives of β-diketones - 2-(2-(2-hydroxyphenyl)hydrazono)-1,3-diphenylpropane-1,3-dione (1), 2-(2-(2-hydroxy-4-nitrophenyl)hydrazono)-1,3-diphenylpropane-1,3-dione (2), 3-(2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl)-2-hydroxy-5-nitrobenzene sulfonic acid (3), 2-(2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl)benzenesulfonic acid (4), 2-(2-(1,3-dioxo-1,3-diphenylpropan -2-ylidene)hydrazinyl)benzoic acid (5), 2-(2-(2-hydroxy-4-nitrophenyl)hydrazono)-1-phenylbutane-1,3-dione (6) were performed. The collected information confirms that 1-5 exist in hydrazo form, being stabilized by the intramolecular hydrogen bonds in DMSO solution and solid phase, while 6 exists in mixed enol-azo and hydrazo tautomeric forms, the latter dominating in more polar solvents. The relative stability of various tautomeric and izomeric forms of the symmetric 1-5 and unsymmetric 6 azoderivatives of β-diketones is calculated based on the density functional theory (DFT). Polarizable Continuum Model was used to simulate solvatochromic effects. Solvents of different polarities were used to collect experimental spectra, and the same solvents were chosen for the PCM calculations. The optical properties of 1-6 have been investigated by density functional theory and its electronic absorption bands have been assigned by time-dependent density functional theory (TD-DFT).


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