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2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole is a heterocyclic chemical compound that belongs to the oxadiazole family. It features a five-membered ring structure with one oxygen and two nitrogen atoms, along with a 4-methoxyphenyl and a phenyl group attached to it. 2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole has demonstrated potential applications across various fields, such as pharmaceuticals, agrochemicals, and material science, due to its unique electronic and optical properties as well as its promising biological activities.

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842-79-5 Usage

Uses

Used in Pharmaceutical Applications:
2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole is used as a pharmaceutical agent for its antimicrobial, anticancer, and anti-inflammatory properties. Its diverse biological activities make it a promising candidate for the development of new drugs to treat various diseases and conditions.
Used in Agrochemical Applications:
In the agrochemical industry, 2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole is used as a component in the development of pesticides and other agrochemical products. Its antimicrobial properties can contribute to the control of pests and diseases in agriculture, enhancing crop protection and yield.
Used in Material Science Applications:
2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole is used as a key component in the development of organic electronic materials. Its unique electronic and optical properties make it suitable for applications in organic light-emitting diodes (OLEDs), organic solar cells, and other electronic devices, contributing to advances in the field of material science and technology.
Overall, the diverse range of applications for 2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole makes it a valuable compound in the field of chemical research and development, with potential to impact various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 842-79-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,4 and 2 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 842-79:
(5*8)+(4*4)+(3*2)+(2*7)+(1*9)=85
85 % 10 = 5
So 842-79-5 is a valid CAS Registry Number.
InChI:InChI=1/C15H12N2O2/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10H,1H3

842-79-5SDS

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-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole

1.2 Other means of identification

Product number -
Other names 2-[4-(methyloxy)phenyl]-5-phenyl-1,3,4-oxadiazole

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:842-79-5 SDS

842-79-5Relevant academic research and scientific papers

The preparation, characterization and catalytic activity of Ni NPs supported on porous alginate-g-poly(p-styrene sulfonamide-co-acrylamide)

Alavinia, Sedigheh,Ghorbani-Vaghei, Ramin

, p. 29728 - 29740 (2021/10/06)

Herein, we report the synthesis of nickel nanoparticles under mild conditions using porous alginate-g-poly(p-styrene sulfonamide-co-acrylamide) as a protecting/stabilizing agent and sodium borohydride as a reducing agent. The porous cross-linked polymeric support was preparedviacombining the use of sol-gel, nanocasting, and crosslinking techniques, in which thep-styrene sulfonamide monomer (PSSA) andN,N′-methylene-bis (acrylamide) (MBA) cross-linker underwent copolymerization on the surface of sodium alginate in the presence of a SiO2nanoparticle (NP) template (Alg-PSSA-co-ACA). The prepared catalyst (Alg-PSSA-co-ACA@Ni) showed high catalytic activity for the one-step synthesis of 1,3,4-oxadiazoles from the reaction of hydrazides and aryl iodides through isocyanide insertion/cyclization.

Sodium hypochlorite-mediated synthesis of 2,5-disubstituted 1,3,4-oxadiazoles from hydrazides and aldehydes

Paidi, Karuna Raman,Kolli, Murali Krishna,Reddy, Eeda Koti,Pedakotla, Venkata Ramana

, p. 371 - 376 (2020/05/04)

[Figure not available: see fulltext.] A simple and convenient method for the synthesis of 2,5-disubstituted 1,3,4-oxadiazoles has been developed. Structurally divergent symmetrical and unsymmetrical 2,5-disubstituted 1,3,4-oxadiazoles can be obtained in moderate to high yields via NaOCl-mediated oxidative cyclization of N-acylhydrazones, generated in situ from aliphatic and aromatic hydrazides and aldehydes.

Experimental and Theoretical Studies on the Mechanism of DDQ-Mediated Oxidative Cyclization of N-Aroylhydrazones

Baek, Jihye,Je, Eun-Kyung,Kim, Jina,Qi, Ai,Ahn, Kwang-Hyun,Kim, Yongho

, p. 9727 - 9736 (2020/10/02)

The controversial single-electron-transfer process, frequently proposed in many 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ)-mediated reactions, was investigated experimentally and theoretically using the oxidative cyclization of aroylhydrazone with DDQ. DDQ-mediated oxadiazole formation involves several processes, including cyclization to form an oxadiazole ring and N-H bond cleavage, either by proton, hydride, or hydrogen atom transfer. The detailed mechanistic study using the M06-2X density functional theory, and the 6-31+G(d,p) basis set, suggests that the pathways involving radical ion pair (RIP) intermediates, which resulted from single-electron transfer (SET), were found to be energetically nearly identical to the pathway without the SET. The substituent-dependent reactivity of oxadiazole formation was consistent with the free energy profiles of both pathways, with or without the SET. This result indicates that in addition to the electron-transfer pathway, the nucleophilic addition/elimination pathway for DDQ should be considered as a possible mechanism of the oxidative transformation reaction using DDQ.

UV-Induced 1,3,4-Oxadiazole Formation from 5-Substituted Tetrazoles and Carboxylic Acids in Flow

Green, Luke,Livingstone, Keith,Bertrand, Sophie,Peace, Simon,Jamieson, Craig

supporting information, p. 14866 - 14870 (2020/11/11)

A range of 1,3,4-oxadiazoles have been synthesized using a UV-B activated flow approach starting from carboxylic acids and 5-substituted tetrazoles. The application of UV light represents an attractive alternative to the traditional thermolytic approach and has demonstrated comparable efficiency and versatility, with a diverse substrate scope, including the incorporation of highly substituted amino acids.

Electrochemical Synthesis of 2,5-Disubstituted 1,3,4-Oxadiazoles from α-Keto Acids and Acylhydrazines Under Mild Conditions

Lu, Fangling,Gong, Fengping,Li, Liangsen,Zhang, Kan,Li, Zhen,Zhang, Xinwei,Yin, Ying,Wang, Ying,Gao, Ziwei,Zhang, Heng,Lei, Aiwen

supporting information, p. 3257 - 3260 (2020/05/25)

1,3,4-Oxadiazoles are a kind of useful heterocycles which can be frequently found in materials and bioactive molecules. In this study, intermolecular electrochemical cyclization between α-keto acids and acylhydrazines has been developed for the synthesis of 2,5-disubstituted 1,3,4-oxadiazoles with the yield up to 91 %. This transformation can be run under mild reaction conditions in the absence of external oxidant, base and transition metal catalyst. Both symmetrical and unsymmetrical 2,5-disubstituted 1,3,4-oxadiazoles could be prepared according to the careful choice of the substrate combination. Gram scale synthesis also illustrates the potential application of this protocol in large preparation.

Harnessing Autoxidation of Aldehydes: In Situ Iodoarene Catalyzed Synthesis of Substituted 1,3,4-Oxadiazole, in the Presence of Molecular Oxygen

Chauhan, Jyoti,Ravva, Mahesh K,Sen, Subhabrata

, p. 6562 - 6565 (2019/09/04)

Isobutyraldehyde underwent auto-oxidation in the presence of molecular oxygen to generate an acyloxy radical under a "metal-free" environment. They were subsequently exploited in situ to afford hypervalent iodines with p-anisolyl iodide which generated substituted 1,3,4-oxadiazoles in moderate to excellent yields from N′-arylidene acetohydrazides. The reaction strategy tolerated diverse substitution on the hydrazide substrates. Control experiments and literature precedence supported the formation of an in situ iodosylarene complex that facilitates the formation of products.

IBX/KI promoted synthesis of 2, 5-disubstituted 1, 3, 4-oxadiazoles

Khan, P. Rasvan,Durgaprasad,Reddy, S. Gopal,Reddy, G. Raveendra,Hussein, Ibnelwaleed A.,Reddy, B.V. Subba

, p. 64 - 69 (2018/03/05)

Background: Oxadiazoles are privileged scaffolds in different areas of medicinal, pesticidal, polymer and material science. They act as anticancer, benzodiazepine receptor agonists, antimicrobial, analgesic, diuretic and tyrosinase inhibitors etc. A number of compounds containing an oxadiazole moiety are in late stage clinical trials including zibotentan and furamizole. Despite numerous methods are reported, the majority of them suffer from major drawbacks such as the use of strong alkaline or acidic conditions, highly toxic and corrosive reagents and also involve the use of costly reagents, elevated temperatures and longer reaction times. Inspired by the potential application of hypervalent iodonium reagents in organic synthesis, we would like to explore the readily available IBX and KI reagents for the facile synthesis of 1, 3, 4-oxadiazoles. Method: Oxidative cyclization has successfully been developed for the synthesis of 2, 5-disubstituted 1, 3, 4-oxadiazoles. Results: An efficient process for the one-pot synthesis of 2, 5-disubstituted 1, 3, 4-oxadiazoles has been developed using IBX/KI system at 25°C. The reaction was successful with a wide range of substrates such as aromatic and heterocyclic aldehyde and arylhydrazides to afford the corresponding unsymmetrical 2, 5-disubstituted 1, 3, 4-oxadiazoles. The mild reaction conditions, cost-effective reagents and short reaction time are noteworthy advantages of this methodology. Conclusion: We have developed a one-pot strategy for the synthesis of 1, 3, 4-oxadiazioles using a combination of IBX/KI at ambient temperature. This one-pot procedure proved to be quite general and worked well with a wide variety of aryl and heterocyclic aldehydes and variety of acylhydrazides. The advantage of this method lies in the simplicity of experimental procedure and the ready accessibility of the reagents, which render this, an experimentally attractive method for the preparation of unsymmetrical 1, 3, 4-oxadiazoles.

Photocatalyzed facile synthesis of 2,5-diaryl 1,3,4-oxadiazoles with polyaniline-?g-C3N4-TiO2 composite under visible light

Wang, Liang,Wang, Yaoyao,Chen, Qun,He, Mingyang

supporting information, p. 1489 - 1492 (2018/03/13)

PANI (polyaniline)-g-C3N4-TiO2 composite was prepared and found to be efficient for the synthesis of 2,5-diaryl 1,3,4-oxadiazoles under visible light. This reaction involved decarboxylation and cyclization from α-keto acids with acylhydrazines, and a broad scope of substrates were tolerated to provide the desired products in moderate to good yields. Control experiments indicated that a radical pathway was involved in the present photocatalytic reaction and a synergistic effect may exist in the ternary composite. Moreover, this semiconductor photocatalyst could be readily recovered and showed good reusability with only slight decrease in the catalytic activity after six consecutive runs.

Synthesis of 2,5-disubstituted 1,3,4-oxadiazoles by visible-light-mediated decarboxylation–cyclization of hydrazides and diketones

Diao, Pinhui,Ge, Yanqin,zhang, Wenpei,Xu, Chen,Zhang, Nannan,Guo, Cheng

supporting information, p. 767 - 770 (2018/02/07)

A visible-light-induced synthesis of 2,5-disubstituted 1,3,4-oxadiazoles from simple diketones and hydrazides with the assistant of the photocatalyst eosin Y catalyzed decarboxylation and cyclization under mild conditions has been discovered. The reaction tolerates a wide range of functional groups and gives a variety of valuable 1,3,4-oxadiazoles in moderate to good yields. Finally, a plausible reaction mechanism was proposed.

A pharmaceutical intermediate the body is wicked oxadiazole compound synthesis method (by machine translation)

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Paragraph 0040; 0041; 0042; 0043; 0044; 0045; 0064-0098, (2017/08/25)

The present invention provides a following formula (I) of the oxadiazole compound shows wickedly synthetic method, said method comprising: in the organic solvent, the catalyst organic copper compound, in the presence of alkali and activator, a compound of formula (II) compound of formula (III) in the reaction in an inert atmosphere, thus formula (I) compounds, wherein R1 And R2 Are each independently H, C1 - C6 Alkyl, C1 - C6 Alkoxy, halogen or nitro; X is halogen. The method through the catalyst, alkali, organic solvent activator and the appropriate selection/combined, but to a high yield of the objective product, in the medical intermediate synthesis field and has a wide application and great industrial. (by machine translation)

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