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5-Methyl-3-phenyl-1,3,4-oxadiazol-2(3H)-one is a chemical compound with the molecular formula C9H7N2O2. It is a derivative of the oxadiazole family, characterized by a five-membered ring containing two nitrogen atoms and one oxygen atom. The compound features a methyl group at the 5-position and a phenyl group at the 3-position, which are key structural elements that influence its chemical properties. This specific oxadiazole is known for its potential applications in various fields, including pharmaceuticals and materials science, due to its unique reactivity and stability. It is often synthesized through chemical reactions involving amines and other precursors, and its properties are of interest to researchers for the development of new drugs and chemical materials.

28740-63-8

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28740-63-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 28740-63-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,8,7,4 and 0 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 28740-63:
(7*2)+(6*8)+(5*7)+(4*4)+(3*0)+(2*6)+(1*3)=128
128 % 10 = 8
So 28740-63-8 is a valid CAS Registry Number.

28740-63-8Relevant academic research and scientific papers

Cu microcrystals garnished with copper nanoparticles catalyzed one-pot facile synthesis of novel 1,2,3-triazoles via click chemistry as antifungal agents

Kodasi, Barnabas,Joshi, Shrinivas D.,Kamble, Ravindra R.,Keri, Rangappa S.,Bayannavar, Praveen K.,Nesaragi, Aravind R.,Dixit, Shruti,Vootla, Shyam Kumar,Metre, Tukaram V.

, (2022/04/07)

A remarkable, efficacious, and environmental friendly one-pot procedure affianced for the synthesis of 1,2,3-triazoles by 1,3-dipolar cycloaddition of aromatic azides, terminal alkynes over Cu microcrystals (CuMCs) by click chemistry as subsequent way. The predominance of this method is green synthetic pathway, transient reaction times, facile workup, exceptional yields (87% to 90%) with excellent purity, regioselective single product formation, and eco-friendliness of the CuMCs catalyst. Docking studies manifested strong binding interactions with enzyme sterol 14-alpha-demethylase (PDB ID: 3KHM) with excellent C-score values. The antifungal screening of synthesized compounds revealed promising activity.

Microwave assisted regioselective synthesis of quinoline appended triazoles as potent anti-tubercular and antifungal agents via copper (I) catalyzed cycloaddition

Nesaragi, Aravind R.,Kamble, Ravindra R.,Bayannavar, Praveen K.,Shaikh, Saba Kauser J.,Hoolageri, Swati R.,Kodasi, Barnabas,Joshi, Shrinivas D.,Kumbar, Vijay M.

supporting information, (2021/04/12)

Quinolin-3-yl-methyl-1,2,3-triazolyl-1,2,4-triazol-3(4H)-ones 8j-v were synthesized by click chemistry as an ultimate tactic where [3 + 2] cycloaddition of azides with terminal alkynes has been evolved. Herein, we are inclined to divulge the implication and prevalence of CuSO4·5H2O and THF/water promoted [3 + 2] cycloaddition reactions. The foremost supremacy of this method are transitory reaction times, facile workup, excellent yields (88–92%) with exorbitant purity and regioselective single product formation both under conventional and microwave method. Docking studies illustrated strong binding interactions with enzyme InhA-D148G (PDB ID: 4DQU) by means of high C-score values. The anti-tubercular and antifungal screening of synthesized compounds proclaimed promising activity. The in vitro and in silico studies imply that these triazoles appended quinolines may acquire the ideal structural prerequisites for auxiliary expansion of novel therapeutic agents.

Click chemistry based regioselective one-pot synthesis of coumarin-3-yl-methyl-1,2,3-triazolyl-1,2,4-triazol-3(4H)-ones as newer potent antitubercular agents

Somagond, Shilpa M.,Kamble, Ravindra R.,Bayannavar, Praveen K.,Shaikh, Saba Kauser J.,Joshi, Shrinivas D.,Kumbar, Vijay M.,Nesaragi, Aravind R.,Kariduraganavar, Mahadevappa Y.

, (2019/08/12)

Coumarin-3-yl-methyl-1,2,3-triazolyl-1,2,4-triazol-3(4H)-ones (8k-z) were synthesized via copper(I)-catalyzed azide-alkyne cycloaddition click chemistry. The synthesized hybrid molecules were characterized by spectral studies. Compounds 8k-z were screened for their in vitro anti-TB activity by using the Microplate Alamar Blue assay and for cytotoxicity using the MTT assay. Some of the compounds were found to be most potent against the tested Mycobacterium tuberculosis H37Rv strain with a MIC of 1.60 μg/ml. Further, docking the compounds into the InhA binding pocket showed strong binding interactions and effective overall docking scores were recorded. The drug-likeness and toxicity studies were computed using Molinspiration and Protox, respectively.

One-pot multicomponent synthesis of novel thiazol-2-imines via microwave irradiation and their antifungal evaluation

Shaikh, Saba Kauser Jaweed,Kamble, Ravindra Ramappa,Somagond, Shilpa M.,Kamble, Atulkumar A.,Kumbar, Mahadev N.

supporting information, p. 2061 - 2073 (2018/07/21)

Microwave-assisted green approach is developed for an efficient synthesis of thiazol-2-imines under catalyst-free conditions. The desired products are formed by one-pot three-component reaction which is an improvised method for Hantzsch thiazole synthesis

The reaction of sydnones with bromine in acetic anhydride revisited: A new route to 5-substituted-3-aryl-1,3,4-oxadiazol-2(3H)-ones from N-aryl-N-bromocarbonylhydrazines

Tumey, Jonathan M.,Gerritsen, Thijs,Klaasen, Jimmy,Madaram, Karunakar R.,Turnbull, Kenneth

, p. 94 - 101 (2018/06/29)

The reaction of 3-phenylsydnone with bromine in acetic anhydride to form 5-methyl-3-phenyl-1,3,4-oxadiazol-2(3H)-one has been reexamined and improved. A new mechanism involving a bromocarbonylhydrazine species is proposed and its intermediacy is supported

Design, synthesis, docking and in vitro antifungal study of 1,2,4-Triazole hybrids of 2-(aryloxy)quinolines

Somagond, Shilpa M.,Kamble, Ravindra R.,Kattimani, Pramod P.,Joshi, Shrinivas D.,Dixit, Sheshagiri R.

, p. 317 - 324 (2017/08/15)

Substituted quinolines containing a 1,2,4-Triazole moiety were synthesized using reported methods. The molecular docking studies support the experimental results that these compounds are active against A. fumigatus and C. albicans where N-myristoyl transf

1,3-Dipolar Cycloaddition of Nitrile Imine with Carbon Dioxide: Access to 1,3,4-Oxadiazole-2(3H)-ones

Guo, Chun-Xiao,Zhang, Wen-Zhen,Zhang, Ning,Lu, Xiao-Bing

, p. 7637 - 7642 (2017/07/26)

Efficient synthesis of 1,3,4-oxadiazole-2(3H)-one was achieved by CsF/18-crown-6 mediated 1,3-dipolar cycloaddition of nitrile imine and 2.0 MPa of CO2. CsF/18-crown-6 played a key role in enhancing the reactivity of CO2 as a 1,3-dipolarophile. The practical utility of this transition-metal-free approach to 1,3,4-oxadiazole-2(3H)-one is highlighted by the convenient synthesis of a commercial herbicide Oxadiazon and a MAO B inhibitor.

Zinc triflate catalyzed facile synthesis of novel 1,2,4-triazolinone derivatives using 3-Arylsydnone as synthon

Dorababu, Atukuri,Kamble, Ravindra R.,Kattimani, Pramod P.

, p. 510 - 517 (2013/08/23)

A series of novel tetrazoles (4a-k) and thiazolidinones (6a-k) appended to 2-Aryl-1,2,4-triazolin-3-ones were efficiently synthesized from 3-Arylsydnones (1a-k) in excellent yields using Zinc triflate as catalyst.

Facile TICl4-catalyzed synthesis of novel 1,2,4-triazoles appended to thiazoles

Gireesh,Kamble,Hunnur,Taj,Kariduraganavar

scheme or table, p. 877 - 885 (2012/04/04)

The reaction of sydnone-derived 3-aryl-5-methyl-1,3,4-oxadiazol-2(3H)-ones with thiourea and α-bromoacetophenone derivatives in the presence of a catalytic amount of TiCl4 produces 2-aryl-4-(4-aryl-1,3-thiazol-2-yl) -5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-ones. The title compounds were screened for their antibacterial and antifungal activity. The toxicity of the compounds was evaluated in terms of mutagenicity, tumorigenicity, and reproductive effects. The drug-relevant properties (ClogP, drug-likeness, and drug score) were calculated, and the structure-activity relationship was discussed.

Transformation of the sydnone ring into oxadiazolinones. A convenient one-pot synthesis of 3-aryl-5-methyl-1,3,4-oxadiazolin-2-ones from 3- arylsydnones and their antimicrobial activity

Mallur, Shanta G.,Badami, Bharati V.

, p. 65 - 67 (2007/10/03)

3-Arylsydnones (Ia-u) have been converted into the corresponding 3-aryl- 5-methyl-1,3,4-oxadiazolin-2-ones (IIIa-u) by a single-step reaction with bromine in acetic anhydride. In the preliminary screening of all these compounds, the halogen-substituted de

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