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2-(4-Methylphenyl)-1H-inden-1,3(2H)-dione is an organic compound with the molecular formula C15H12O2. It is a derivative of indene, a tricyclic aromatic hydrocarbon, and features a 4-methylphenyl group attached to the 2-position of the indene core. 2-(4-METHYLPHENYL)-1H-INDENE-1,3(2H)-DIONE is characterized by the presence of a carbonyl group at the 1,3-positions, which contributes to its dione structure. It is a white crystalline solid and is used in various chemical reactions and as an intermediate in the synthesis of pharmaceuticals and other organic compounds. The compound's properties, such as its melting point, solubility, and reactivity, can be influenced by the presence of the 4-methylphenyl group, making it a versatile building block in organic synthesis.

7561-48-0

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7561-48-0 Usage

Physical state

Yellow crystalline solid

Solubility

Sparingly soluble in water, soluble in organic solvents

Use in organic synthesis

Can be a precursor for the production of various pharmaceuticals and dyes

Application as a dye intermediate

Used in the manufacturing of perfumes and flavorings

Potential applications

Materials science, reagent in organic chemical reactions

Check Digit Verification of cas no

The CAS Registry Mumber 7561-48-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,5,6 and 1 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 7561-48:
(6*7)+(5*5)+(4*6)+(3*1)+(2*4)+(1*8)=110
110 % 10 = 0
So 7561-48-0 is a valid CAS Registry Number.
InChI:InChI=1/C16H12O2/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3

7561-48-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-methylphenyl)indene-1,3-dione

1.2 Other means of identification

Product number -
Other names 2-p-Tolyl-indan-1,3-dion

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:7561-48-0 SDS

7561-48-0Relevant academic research and scientific papers

Palladium-Catalyzed Direct α-Arylation of Indane-1,3-dione to 2-Substituted Indene-1,3-diones

Hallur, Gurulingappa,Suresh, Palaniswamy,Tamizharasan, Natarajan

, p. 12318 - 12325 (2021/09/07)

A straightforward and feasible palladium-catalyzed direct α-arylation of indane-1,3-dione to 2-substituted aryl/heteroaryl indene-1,3-diones has been disclosed for the first time. Optimization of reaction conditions identified tBu-XPhos as a preferred ligand for the bis(acetonitrile)dichloropalladium(II) catalyst. A broad spectrum of aryl iodides and aryl triflates containing electron-donating, electron-withdrawing, and sterically hindered substituents gave an excellent yield for the quick access α-arylated 1,3-diones library.

Synthetic method of medical intermediate polycyclic diketone compound

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Paragraph 0035-0038, (2017/02/09)

The invention relates to a synthetic method of a polycyclic diketone compound which can be used as a medical intermediate and is as shown in the formula (III). The synthetic method comprises the following step: in an organic solvent and in nitrogen atmosphere, a compound as shown in the formula (I) and a compound as shown in the formula (II) react in the presence of a catalyst, an oxidizing agent, alkali and a promoter, so as to obtain the compound as shown in the formula (III). In the formula (III), R is H, halogen, C1-C6 alkyl group or C1-C6 alkoxy group, and X is halogen. According to the method, a comprehensive reaction system of the catalyst, the oxidizing agent, alkali and the promoter is adopted, and the organic solvent is appropriately selected. Then, the target product with high yield can be obtained. Requirements of organic synthesis, especially industrial production in the field of synthesis of medical intermediates, can be better met. The product has a broad market prospect.

Palladium-catalyzed chemoselective synthesis of indane-1,3-dione derivatives via tert-butyl isocyanide insertion

Duan, Huaqing,Chen, Zhong,Han, Li,Feng, Yulin,Zhu, Yongming,Yang, Shilin

, p. 6782 - 6788 (2015/06/25)

A simple and efficient strategy for the synthesis of indane-1,3-dione derivatives through a palladium(0)-catalyzed reaction incorporating tert-butyl isocyanide has been developed. In addition, by applying this protocol as the key step, indenopyrazole derivatives can be easily synthesized in high yields in a one-pot procedure. This methodology is tolerant of a wide range of substrates and applicable to library synthesis.

INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS

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Page/Page column 63; 84, (2013/05/23)

The invention relates to indanone/indandione derivatives and heterocyclic analogs of Formula (I) wherein Ar1, A, B, L1, Y, Z, and (R1)n n are as described in the description; to pharmaceutically acceptable salts thereof, and to the use of such compounds as medicaments, especially as NPS receptor antagonists.

Synthesis, characterization, antimicrobial activities and QSAR studies of some 10a-phenylbenzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-ones

Mor, Satbir,Pahal, Preeti,Narasimhan, Balasubramanian

scheme or table, p. 176 - 189 (2012/07/31)

A series of 10a-phenylbenzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-ones (3) has been synthesized and tested for their antimicrobial activity. The antimicrobial evaluation data indicated that compounds, 3b, 3d, 3k and 3m exhibited very promising antibacterial activity and the compounds 3b and 3k exhibited notable activity, almost comparable to penicillin for Staphylococcus aureus and Bacillus subtilis respectively. The derivatives 3g and 3l exhibited high antifungal activity. Moreover, antibacterial activities were more prolific than antifungal activity. The QSAR studies indicated the importance of topological parameters, Kiers second order molecular index (κα 2) and molecular connectivity index (χ) in describing the antibacterial activity and electronic parameters, the energy of highest occupied molecular orbital (HOMO) and the dipole moment (μ) in describing the antifungal activity.

A facile three-component one-pot synthesis of structurally constrained tetrahydrofurans that are t-RNA synthetase inhibitor analogues

Lu, Chong-Dao,Chen, Zhi-Yong,Liu, Hui,Hu, Wen-Hao,Mi, Ai-Qiao,Doyle, Michael P.

, p. 4856 - 4859 (2007/10/03)

A one-pot procedure for the efficient synthesis of tRNA inhibitor analogues was developed. Thus, three-component 1,3-dipolar cycloaddition reactions of carbonyl ylides derived from diazoindan-1,3-dione and aldehydes with other dipolarophiles in 1,1,2,2-tetrachloroethane in 80 °C gave ring-fused tetrahydrofurans having three stereocenters in good yield.

Rhodium(II) Acetate Catalysed Reactions of 2-Diazo-1,3-indandione and 2-Diazo-1-indanone with Various Substrates

Rosenfeld, M. J.,Shankar, B. K. Ravi,Shechter, H.

, p. 2699 - 2705 (2007/10/02)

Decomposition of 2-diazo-1,3-indandione (3) by rhodium(II) acetate (1) in cyclohexane and in benzene results in overall carbon-hydrogen insertion to give 2-substituted 1,3-indandiones.Anisole, 1, and 3 yield 2-(4-methoxyphenyl)-1,3-indandione (74 percent); benzenes substituted by a single methyl or halogen groups yield the corresponding ortho- and para-substitution products.Spirocyclopropanes are obtained by rhodium(II)-catalyzed additions of 3 to olefins; electron-deficient olefins do not give adducts.Substituted 4H-indenofuran-4-ones and 2,3-disubstituted spiroindene>-1',3'-diones are formed from rhodium(II)-catalyzed reactions of 3 with acetylenes.Reactions of 1 and 3 with cyclohexane, olefins, acetylenes, and arenes involve selective electrophilic carbenic or ylidic processes. 2-Diazo-1-indanone (4) is converted by 1 to 2,2'-bis (48).Thiophenol reacts with 4 and 1 to yield 2-(phenylthio)-1-indanone (49).Cyclopropanations of cyclohexene and styrene by 4 as catalyzed by 1 result in spiroheptane-7,2'-indan>-1-one (50) and 2-phenylspiroinden>-1'(3'H)-one (51), respectively.

Hypolipidemic Activity of Indan-1,3-dione Derivatives in Rodents

Murthy, A. R.,Wyrick, S. D.,Hall, I. H.

, p. 1591 - 1596 (2007/10/02)

A series of 2-substituted indan-1,3-dione derivatives, including alkyl (C-1-C-5), mono- and disubstituted phenyl, and other 2-aryl derivatives, were tested for hypolipidemic activity of CF1 male mice at 20 mg/kg per day.These derivatives reduced both serum cholesterol and triglycerides after 16 days of administration intraperitoneally. 2-(4-Methoxyphenyl)indan-1,3-dione was one of the more active compounds with 41percent reduction of serum cholesterol and 58percent reduction of serum triglyceride levels on day 16.This activity was confirmed in the rat after oral administration. 2-(2-Methylphenyl)- and 2-(4-chlorophenyl)indan-1,3-dione were effective in reducing serum triglyceride levels 58percent and 53percent, respectively, in mice.Serum cholesterol on day 16 was effectively reduced 46percent by 2-(2,4-dimethylphenyl)indan-1,3-dione.The indan-1,3-dione derivatives were more effective than clofibrate in lowering lipid levels in mice.A more detailed study on the effects of 2-(4-methoxyphenyl)indan-1,3-dione demonstrated that key enzymes in the de novo synthesis of lipids were inhibited by the drug lowering tissue levels of lipids but raising those in the feces.The alterations in lipid content of rat lipoprotein fractions by the drug appeared favorable.

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