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3-(Benzoyloxy)-2,4-pentanedione, commonly referred to as benzoylacetone, is a chemical compound characterized by its molecular formula C13H12O3. It presents as a yellow crystalline powder with a molecular weight of 216.23 g/mol. 3-(Benzoyloxy)-2,4-pentanedione is recognized for its utility as a versatile building block in the synthesis of a wide array of organic compounds, including those found in pharmaceuticals, agrochemicals, and fragrances. Furthermore, it serves as a starting material for the preparation of chelating ligands and metal complexes, and it exhibits potential antiviral and antibacterial properties, positioning it as a candidate for the development of novel therapeutic agents. The exploration of its specific biological activities and mechanisms of action remains an active area of research.

4620-47-7

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4620-47-7 Usage

Uses

Used in Pharmaceutical Industry:
3-(Benzoyloxy)-2,4-pentanedione is utilized as a key intermediate in the synthesis of various pharmaceuticals, contributing to the development of new drugs due to its chemical reactivity and structural properties.
Used in Agrochemical Industry:
In the agrochemical sector, 3-(Benzoyloxy)-2,4-pentanedione is employed as a starting material for the creation of compounds that have applications in pest control and crop protection, leveraging its ability to form a variety of organic compounds.
Used in Fragrance Industry:
3-(Benzoyloxy)-2,4-pentanedione is used as a component in the production of fragrances, where its chemical structure allows for the creation of diverse scent profiles.
Used in the Preparation of Chelating Ligands and Metal Complexes:
3-(Benzoyloxy)-2,4-pentanedione is applied as a precursor for the synthesis of chelating ligands and metal complexes, which are important in various chemical and biological applications, including catalysis and the development of new materials.
Used in Antiviral and Antibacterial Applications:
Due to its potential antiviral and antibacterial properties, 3-(Benzoyloxy)-2,4-pentanedione is considered for use in the development of new therapeutic agents, particularly in the ongoing search for effective treatments against viral and bacterial infections.

Check Digit Verification of cas no

The CAS Registry Mumber 4620-47-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,6,2 and 0 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4620-47:
(6*4)+(5*6)+(4*2)+(3*0)+(2*4)+(1*7)=77
77 % 10 = 7
So 4620-47-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H12O4/c1-8(13)11(9(2)14)16-12(15)10-6-4-3-5-7-10/h3-7,11H,1-2H3

4620-47-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4-dioxopentan-3-yl benzoate

1.2 Other means of identification

Product number -
Other names 3-benzoyloxypentan-2,4-dione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4620-47-7 SDS

4620-47-7Downstream Products

4620-47-7Relevant academic research and scientific papers

MONOCARBOXYLIC ACID TRANSPORTER 4 (MCT4) MODULATORS AND USES THEREOF

-

Paragraph 0213-0214, (2021/11/26)

Disclosed herein are compounds, compositions, and methods for modulating the monocarboxylic acid transporter 4 (MCT4) with the compounds and compositions disclosed herein. Also described are methods of treating diseases or conditions that are mediated by

Taking diazo transfer to water: α-diazo carbonyl compounds from in situ generated mesyl azide

Dar'in, Dmitry V.,Krasavin, Mikhail,Shevalev, Robert M.,Zhmurov, Petr A.

, p. 372 - 373 (2020/06/19)

Mesyl azide generated in situ in aqueous medium converted a range of active methylene substrates into the corresponding diazo compounds in good yields and high purity with no need for chromatographic purification. The products thus obtained are suitable for the subsequent RhII-catalyzed O–H insertions with no need for chromatography in the interim.

THERAPEUTIC COMPOUNDS

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Paragraph 0422; 0423, (2017/11/07)

The present disclosure relates to substituted heterocyclic derivative therapeutic compounds, compositions comprising said compounds, and the use of said compounds and compositions for epigenetic regulation by inhibition of bromodomain-mediated recognition of acetyl lysine regions of proteins, such as histones. Said compositions and methods are useful for the treatment of diseases mediated by aberrant cell signalling, such as inflammatory disorders, cancer and neoplastic disease.

Bu4NI-Catalyzed α-Oxyacylation of Carbonyl Compounds with Toluene Derivatives

Li, Chengliang,Jin, Tao,Zhang, Xinglu,Li, Chunju,Jia, Xueshun,Li, Jian

supporting information, p. 1916 - 1919 (2016/05/19)

A TBAI (tetrabutylammonium iodide)-catalyzed direct α-oxyacylation of carbonyl compounds from readily available toluene derivatives has been developed. The distinguished features of this metal-free protocol include the employment of simple starting material, a wide carbonyl compound scope, and mild reaction conditions.

METHOD FOR PRODUCING ALPHA-ACYLOXYCARBONYL COMPOUND AND NOVEL ALPHA-ACYLOXYCARBONYL COMPOUND

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Page/Page column 7, (2013/02/27)

A method for producing an α-acyloxycarbonyl compound of the present invention includes performing an intermolecular reaction between a carboxylic acid and a carbonyl compound selected from the group consisting of ketones, aldehydes, and esters, which have

In situ generated (Hypo)iodite catalysts for the direct α-oxyacylation of carbonyl compounds with carboxylic acids

Uyanik, Muhammet,Suzuki, Daisuke,Yasui, Takeshi,Ishihara, Kazuaki

supporting information; experimental part, p. 5331 - 5334 (2011/07/08)

It′s the iodine: The intra- and intermolecular title reaction is catalyzed by an in situ generated ammonium (hypo)iodite species. Either H 2O2 or tert-butyl hydroperoxide (TBHP) can be used as an environmentally benign oxidant and a wide range of substrates react to give the corresponding α-acyloxycarbonyl compounds in good to excellent yields.

PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES AS GLUCOKINASE ACTIVATORS FOR THE TREATMENT OF DIABETES MELLITUS

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Page/Page column 113; 116; 119-120, (2009/05/29)

Provided are compounds of Formula (I): wherein R2, R3, R13, L and D2 are as defined in the specification, which are useful in the treatment and/or prevention of diseases or disorders mediated by deficient levels of glucokinase activity or which can be treated by activating glucokinase including, but not limited to, diabetes mellitus, impaired glucose tolerance, IFG (impaired fasting glucose) and IFG (impaired fasting glycemia), as well as other diseases and disorders such as those discussed herein

Synthesis of functionalized p-dihydrobenzoquinones and p-benzoquinones based on [3+3] cyclizations of 1,3-bis-silyl enol ethers

Ahmed, Zafar,Fischer, Christine,Spannenberg, Anke,Langer, Peter

, p. 4800 - 4806 (2007/10/03)

Functionalized mono-protected p-dihydrobenzoquinones were prepared by [3+3] cyclization of 1,3-bis-silyl enol ethers with 2-acyloxy-3-(silyloxy)alk-2-en-1-ones. Deprotection and oxidation of the products afforded the corresponding p-benzoquinones.

The Effect of Ring Nitrogen Atoms on the Homolytic Reactivity of Phenolic Compounds: Understanding the Radical-Scavenging Ability of 5-Pyrimidinols

Valgimigli, Luca,Brigati, Giovanni,Pedulli, Gian Franco,DiLabio, Gino A.,Mastragostino, Marina,Arbizzani, Catia,Pratt, Derek A.

, p. 4997 - 5010 (2007/10/03)

Six substituted 5-pyrimidinols were synthesized, and the thermochemistry and kinetics of their reactions with free radicals were studied and compared to those of equivalently substituted phenols. To assess their potential as hydrogen-atom donors to free r

Novel chain-breaking antioxidants

-

, (2008/06/13)

Compounds, preferably 5-pyrimidinol and 3-pyridinol derivatives, that act as effective chain breaking antioxidants of both the lipid and water-soluble variety (analogous to the natural Vitamins E and C), many of which are more reactive toward peroxyl radicals than the most potent form of Vitamin E. These compounds may exhibit many chemopreventive effects associated with conditions in which free radical-mediated cellular damage or disruption is implicated and Vitamins E and C are shown to have protective effects. Additionally, these compounds should be excellent oxidation inhibitors as additives to fuels, lubricants, rubber, polymers, chemicals, solvents and foodstuffs.

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