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2-Benzoyl-1H-indole, also known as 2-benzoylindole, is a chemical compound with the molecular formula C15H11NO. It is a derivative of indole, featuring a benzoyl group attached to the 2-position of the indole ring. 2-Benzoyl-1H-indole is recognized for its potential applications in various fields due to its unique structure and properties.

1022-86-2

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1022-86-2 Usage

Uses

Used in Pharmaceutical Synthesis:
2-Benzoyl-1H-indole is utilized as an intermediate in the synthesis of various pharmaceuticals. Its chemical structure allows it to be a key component in the creation of new drugs, contributing to the development of novel therapeutic agents.
Used in Agrochemical Production:
In the agrochemical industry, 2-Benzoyl-1H-indole serves as a precursor in the production of certain agrochemicals. Its role is crucial for the synthesis of compounds that can be used in pest control and crop protection, enhancing agricultural productivity.
Used in Organic Material Development:
2-Benzoyl-1H-indole is also used in the development of organic materials, where its chemical properties are leveraged to create new materials with specific characteristics for various applications.
Used in Antitumor Research:
2-Benzoyl-1H-indole has been studied for its potential as an antitumor agent. Its biological activities are of interest to researchers exploring new cancer treatment options, as it may contribute to the inhibition of tumor growth.
Used in Antimicrobial Applications:
2-Benzoyl-1H-indole has also been investigated for its antimicrobial properties, which could be harnessed in the development of new antibiotics or antifungal agents to combat microbial infections.
Used in Organic Light-Emitting Diodes (OLEDs):
Due to its fluorescent properties, 2-benzoyl-1H-indole has been explored for use in the development of OLEDs. Its potential contribution to the advancement of display and lighting technologies is significant, as it can improve the efficiency and performance of OLED devices.

Check Digit Verification of cas no

The CAS Registry Mumber 1022-86-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,2 and 2 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1022-86:
(6*1)+(5*0)+(4*2)+(3*2)+(2*8)+(1*6)=42
42 % 10 = 2
So 1022-86-2 is a valid CAS Registry Number.

1022-86-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1H-Indol-2-yl(phenyl)methanone

1.2 Other means of identification

Product number -
Other names 2-Benzoyl-1H-indole

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:1022-86-2 SDS

1022-86-2Relevant academic research and scientific papers

Acid fluorides as acyl electrophiles in suzuki–miyaura coupling

Ogiwara, Yohei,Sakino, Daisuke,Sakurai, Yuka,Sakai, Norio

, p. 4324 - 4327 (2017)

The first palladium-catalyzed construction of ketones through Suzuki–Miyaura reaction by using acid fluorides is described. In contrast to typical acyl electrophiles such as acid chlorides, acid fluorides are uncommon acyl electrophiles to use in boron-based coupling reactions, probably due to a high level of stability toward nucleophiles. This first attempt to use acid fluorides as a coupling partner with boronic acids allowed highly functional group tolerance and a wide substrate scope while affording various ketones in effective yields.

N-(2-Aminobenzylidene)-4-methylanilines - stable and cheap alternate for 2-aminobenzaldehydes: concise synthesis of 3-unsubstituted-2-aroylindoles

Vivekanand, Thavaraj,Sandhya, Thiruvalluvan,Vinoth, Perumal,Nagarajan, Subbiah,Maheswari, C. Uma,Sridharan, Vellaisamy

, p. 5291 - 5294 (2015)

Abstract Synthesis of 3-unsubstituted-2-aroylindoles starting from readily available N-(2-aminobenzylidene)-4-methylanilines, cheap and stable alternative to 2-aminobenzaldehydes, and α-bromoketones was achieved in moderate to good yields under basic cond

Incvestigation of the possible role of arylamine formation in the ortho-substituted nitroarenes reductive cyclization reactions to afford heterocycles

Ragaini, Fabio,Sportiello, Paola,Cenini, Sergio

, p. 283 - 291 (1999)

Reductive carbonylation of nitroarenes with an unsaturated group in the ortho position generally affords high yields of heterocyclic compounds, including indoles, chalcones, quinolines, benzimidazoles, benzotriazoles, and indazoles. There is, however, no direct information on the organic intermediates formed during the reaction. In this paper, we have examined the possible formation of anilines as intermediates in the synthesis of indoles, acylindoles, quinolines, and quinolones with several catalytic systems based on palladium, ruthenium and rhodium. It transpired that, independent of the metal complex used as a catalyst, the formation of aniline as an intermediate is essential in the intra-molecular condensation reactions of nitroarenes involving an aldehydic or a keto group (including Michael addition reactions), but plays at best a very limited role in the addition reactions involving a C=C double bond.

Synthesis of 2-Acylindoles via Ag- and Cu-Catalyzed anti-Michael Hydroamination of β-(2-Aminophenyl)-α,β-ynones: Experimental Results and DFT Calculations

Rode, Navnath D.,Abdalghani, Issam,Arcadi, Antonio,Aschi, Massimiliano,Chiarini, Marco,Marinelli, Fabio

, p. 6354 - 6362 (2018)

β-(2-Aminophenyl)-α,β-ynones afforded 3-unsubstituted 2-acylindoles in good yields in the presence of 20 mol % AgOTf under (microwave) MW heating. The use CuOTf as a catalyst resulted in a similar reaction outcome, generally with a lower efficiency. This transformation represents the first example of 5-endo-dig cyclization of 2-alkynylanilines bearing an acyl group linked to the triple bond. By contrast with the previously reported gold-catalyzed reaction of β-(2-aminophenyl)-α,β-ynones, which resulted in the formation of dibenzo[1,5]diazocines through a sequential process triggered by an intermolecular hydroamination, a selective intramolecular anti-Michael hydroamination was observed in the present study by silver/copper catalysis. Density functional theory calculations on the Ag-catalyzed reaction revealed that the catalyst induces an electrostatic arrangement in the TS coherent with the experimentally observed cyclization.

Reaction of 3-(2-nitrophenyl)-1-arylprop-2-en-1-ones with triethylphosphite in microwave revisited: One-pot synthesis of 2-aroylindoles and 2-arylquinolines

Gupta, Annah,Khajuria, Rajni,Kapoor, Kamal K.

, p. 31 - 38 (2016)

One-pot synthesis of 2-aroylindoles and 2-arylquinolines has been achieved by the reductive cyclization of 3-(2-nitrophenyl)-1-arylprop-2-en-1-ones with triethylphosphite [P(OEt)3] under microwave irradiation. The formation of 2-arylquinolines by this method is unprecedented.

Substrate-Controlled Transformation of Azobenzenes to Indazoles and Indoles via Rh(III)-Catalysis

Cai, Shangjun,Lin, Songyun,Yi, Xiangli,Xi, Chanjuan

, p. 512 - 520 (2017)

Rh(III)-catalyzed substrate-controlled transformation of azobenzenes to indazoles and 2-acyl (NH) indoles is achieved via C-H functionalization. Generally, good functional groups tolerance, satisfying yields, and excellent regio-selectivity are achieved in this reaction. Mechanistically, the reaction with acrylates undergoes β-hydride elimination, while the reaction with vinyl ketones or acrylamides undergoes nucleophilic addition. Copper acetate was supposed to play different roles in the β-hydride elimination to furnish indazoles and nucleophilic addition of C-Rh bond to deliver 2-acyl (NH) indoles.

Diethoxymethyl protected indoles: Synthesis and regioselective transformations

Gmeiner, Peter,Kraxner, Johannes,Bollinger, Bernd

, p. 1196 - 1198 (1996)

Reaction of the indoles 1a-d with triethyl orthoformate gives access to the N-diethoxymethyl derivatives 2a-d. Convenient and mild removal of the diethoxymethyl substituent is possible by subsequent treatment of 2a-d with aqueous HCl and NaOH. Using 2a as an example, it could be shown that deprotonation followed by addition of an electrophile (Me3SiCl or Bu3SnCl) leads to substitution in position 2. Further functionalization was possible by palladium-catalyzed coupling reactions starting from the stannane 4. The diethoxymethyl protected η6-tricarbonylchromium complex 5 facilitated acylation in position 2 after deprotonation.

Novel Synthesis of Indoles via Palladium-Catalyzed Reductive N-Heterocyclization of o-Nitrostyrene Derivatives

Akazome, Motohiro,Kondo, Teruyuki,Watanabe, Yoshihisa

, p. 769 - 772 (1992)

Indole derivatives were readily prepared from the reductive N-heterocyclization of o-nitrostyrene derivatives in the presence of a catalytic amount of PdCl2(PPh3)2 - SnCl2 under carbon monoxide pressure (20 kg/cm2) at 100 deg C for 16 h.With o-nitrostilbene, 2-phenylindole was obtained in 75percent yield.

Synthesis of N-Heterocycles by Reductive Cyclization of Nitro Compounds using Formate Esters as Carbon Monoxide Surrogates

Formenti, Dario,Ferretti, Francesco,Ragaini, Fabio

, p. 148 - 152 (2018)

A series of alkyl and aryl formate esters were evaluated as CO sources in the Pd- and Pd/Ru-catalyzed reductive cyclization of substituted nitro compounds to afford heterocycles, especially indoles. Phenyl formate was found to be the most effective, and it allowed the desired products to be obtained in excellent yields, often higher than those previously reported with pressurized CO. Through detailed experiments and kinetic studies, we were able to discern between metal-catalyzed and base-mediated activation of phenyl formate and confirmed that just the base was effective in catalyzing its decarbonylation.

Selective synthesis of quinolines and indoles: Sulfur-assisted or selenium-catalyzed reaction of β-(2-nitrophenyl)-α, β-unsaturated ketones with carbon monoxide

Umeda, Rui,Kouno, Hiroshi,Kitagawa, Takayuki,Okamoto, Tomohiro,Kawashima, Keisuke,Mashino, Tsukasa,Nishiyama, Yutaka

, p. 698 - 703 (2014)

A simple and selective synthetic method of quinolines and indoles by the reaction of β- (2-nitrophenyl)-α,β-unsaturated ketones with carbon monoxide was developed. When β-(2-nitrophenyl)- α,β-unsaturated ketones were allowed to react with carbon monoxide and water in the presence of a stoichiometric amount of sulfur or a catalytic amount of selenium, the corresponding quinolines were produced in moderate-to-good yields. On the other hand, in the absence of water, the indoles were produced by the selenium-catalyzed reaction of the β-(2-nitrophenyl)- α,β-unsaturated ketones with carbon monoxide.

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