Benzoylacetone | CAS#93-91-4 | antibacterial

Benzoylacetone
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 591806

CAS#: 93-91-4

Description: Benzoylacetone has antibacterial activity.

Chemical Structure

Benzoylacetone

CAS# 93-91-4

Instruction

Theoretical Analysis

MedKoo Cat#: 591806
Name: Benzoylacetone
CAS#: 93-91-4
Chemical Formula: C10H10O2
Exact Mass: 162.07
Molecular Weight: 162.190
Elemental Analysis: C, 74.06; H, 6.22; O, 19.73

Price and Availability

Size	Price	Availability
25g	USD 260	2 weeks
500g	USD 1100	2 weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: AI3-10572; AI3 10572; AI310572

IUPAC/Chemical Name: 1,3-Butanedione, 1-phenyl-

InChi Key: CVBUKMMMRLOKQR-UHFFFAOYSA-N

InChi Code: InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3

SMILES Code: CC(CC(C1=CC=CC=C1)=O)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 162.19 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:
In vitro protocol:
In vivo protocol:

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6: Cheng W, Tang Y, Xu ZF, Li CY. Synthesis of Multifunctionalized 2-Carbonylpyrrole by Rhodium-Catalyzed Transannulation of 1-Sulfonyl-1,2,3-triazole with β-Diketone. Org Lett. 2016 Dec 2;18(23):6168-6171. Epub 2016 Nov 16. PubMed PMID: 27934337.

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8: Kaushal R, Thakur S, Nehra K. ct-DNA Binding and Antibacterial Activity of Octahedral Titanium (IV) Heteroleptic (Benzoylacetone and Hydroxamic Acids) Complexes. Int J Med Chem. 2016;2016:2361214. doi: 10.1155/2016/2361214. Epub 2016 Mar 16. PubMed PMID: 27119022; PubMed Central PMCID: PMC4812385.

9: Urbisch D, Honarvar N, Kolle SN, Mehling A, Ramirez T, Teubner W, Landsiedel R. Peptide reactivity associated with skin sensitization: The QSAR Toolbox and TIMES compared to the DPRA. Toxicol In Vitro. 2016 Aug;34:194-203. doi: 10.1016/j.tiv.2016.04.005. Epub 2016 Apr 14. PubMed PMID: 27090964.

10: Awasthi P, Kumar N, Kaushal R, Kumar M, Kukreti S. Comparative In Vitro Binding Studies of TiCl2(dpme)2, Ti(ada)2(bzac)2, and TiCl2(bzac)(bpme) Titanium Complexes with Calf-Thymus DNA. Biochem Res Int. 2015;2015:836928. doi: 10.1155/2015/836928. Epub 2015 Dec 30. PubMed PMID: 26843985; PubMed Central PMCID: PMC4710919.

11: Noroozi Pesyan N, Rashidnejad H. Isotopic splitting patterns in the (13) C NMR spectra of some partially deuterated 1-aryl-2-(phenyldiazenyl)butane-1,3-dione and 4-hydroxy-3-(phenyldiazenyl)-2H-chromen-2-one: evidence for elucidation of tautomeric forms. Magn Reson Chem. 2016 May;54(5):358-64. doi: 10.1002/mrc.4390. Epub 2016 Jan 18. PubMed PMID: 26776053.

12: Ekennia AC, Onwudiwe DC, Olasunkanmi LO, Osowole AA, Ebenso EE. Synthesis, DFT Calculation, and Antimicrobial Studies of Novel Zn(II), Co(II), Cu(II), and Mn(II) Heteroleptic Complexes Containing Benzoylacetone and Dithiocarbamate. Bioinorg Chem Appl. 2015;2015:789063. doi: 10.1155/2015/789063. Epub 2015 Nov 22. PubMed PMID: 26681931; PubMed Central PMCID: PMC4670642.

13: Nowicka A, Liszkiewicz H, Nawrocka WP, Wietrzyk J, Sadowska J. SYNTHESIS AND IN VITRO ANTIPROLIFERATIVE ACTIVITY OF NOVEL 2-ARYLIDENEAMINOBENZIMIDAZOLE DERIVATIVES. Acta Pol Pharm. 2015 Sep-Oct;72(5):951-63. PubMed PMID: 26665403.

14: Luo H, Pan L, Xu X, Liu Q. Friedel-Crafts Coupling of Electron-Deficient Benzoylacetones Tuned by Remote Electronic Effects. J Org Chem. 2015 Aug 21;80(16):8282-9. doi: 10.1021/acs.joc.5b01371. Epub 2015 Aug 11. PubMed PMID: 26247296.

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16: Durlak P, Latajka Z. Car-Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bonds in the crystals of benzoylacetone and dideuterobenzoylacetone. Phys Chem Chem Phys. 2014 Nov 14;16(42):23026-37. doi: 10.1039/c4cp02569e. PubMed PMID: 25242169.

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20: Shebl M, El-ghamry MA, Khalil SM, Kishk MA. Mono- and binuclear copper(II) complexes of new hydrazone ligands derived from 4,6-diacetylresorcinol: Synthesis, spectral studies and antimicrobial activity. Spectrochim Acta A Mol Biomol Spectrosc. 2014 May 21;126:232-41. doi: 10.1016/j.saa.2014.02.014. Epub 2014 Feb 18. PubMed PMID: 24607473.

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