نتایج جستجو برای: 134 oxadiazole

تعداد نتایج: 14013  

Journal: :Journal of Molecular Modeling 2021

In this study, 32 energetic compounds were designed using oxadiazoles (1,2,5-oxadiazole, 1,3,4-oxadiazole) as the parent by inserting different groups well changing bridge between parent. These had high density and excellent detonation properties. The electrostatic potentials of analyzed functional theory (DFT). structure, heat formation (HOF), density, performances (detonation pressure P, velo...

Journal: :Physical chemistry chemical physics : PCCP 2007
Ive Hermans Bart Moens Jozef Peeters Pierre Jacobs Bert Sels

The thermal reaction of olefins with nitrous oxide was recently put forward as a promising synthetic ketone source. The 1,3-dipolar cycloaddition of N(2)O to the C=C double bond, forming a 4,5-dihydro-[1,2,3]oxadiazole intermediate, was predicted to be the first elementary reaction step. This oxadiazole can subsequently decompose to the desired carbonyl product and N(2)via a hydrogen shift. In ...

Journal: :Chemical communications 2007
Lianqing Chen Han You Chuluo Yang Dongge Ma Jingui Qin

Novel blue-emitting phosphorescent iridium(III) complexes with fluorinated 1,3,4-oxadiazole derivatives as cyclometalated ligands and dithiolates as ancillary ligands have been synthesized and fully characterized; highly efficient OLEDs have been achieved using these complexes in the light-blue to blue-emitting region.

Journal: :Chemical communications 2014
Qiaoling Liu Lixia Feng Caixia Yuan Lin Zhang Shaomin Shuang Chuan Dong Qin Hu Martin M F Choi

An organic salt based on double 1,3,4-oxadiazole derivatives as fluorophores and BAPTA as a receptor has been designed for detection of Cd(2+). The fluorescent probe exhibits high selectivity for Cd(2+) and a low detection limit of 20 nM in aqueous solution, making it useful for Cd(2+) imaging in living MCF-7 cells.

Journal: :Chemical science 2017
Kazuyuki Tokumaru Jeffrey N Johnston

The 1,3,4-oxadiazole is an aromatic heterocycle valued for its low-lipophilicity in drug development. Substituents at the 2- and/or 5-positions can modulate the heterocycle's electronic and hydrogen bond-accepting capability, while exploiting its use as a carbonyl bioisostere. A new approach to 1,3,4-oxadiazoles is described wherein α-bromo nitroalkanes are coupled to acyl hydrazides to deliver...

2012
Poonam Singh Pramod Kumar Sharma Jitendra Kumar Sharma Anshu Upadhyay Nitin Kumar

BACKGROUND Substituted 1,3,4-oxadiazoles are of considerable pharmaceutical interest. 2,5-Substituted diphenyl-1,3,4-oxadiazoles are associated with diverse biological activities by the virtue of -N = C-O- grouping. In the view of wide range of biological properties associated with 1,3,4-oxadiazole, we have synthesized substituted derivatives of 1,3,4-oxadiazole (XIII-XXII), a versatile hydroph...

2017
Kazuyuki Tokumaru Jeffrey N. Johnston

The 1,3,4-oxadiazole is an aromatic heterocycle valued for its low-lipophilicity in drug development. Substituents at the 2and/or 5-positions can modulate the heterocycle's electronic and hydrogen bondaccepting capability, while exploiting its use as a carbonyl bioisostere. A new approach to 1,3,4oxadiazoles is described wherein a-bromo nitroalkanes are coupled to acyl hydrazides to deliver the...

2011
P. B. Mohite V. H. Bhaskar

In attempt to find new pharmacologically active molecules, we report here the synthesis and in vitro antimicrobial activities of various novel 1,3,4-oxadiazole containing 5-phenyltetrazole. The Schiff bases were obtained by condensation 2-(5phenyl-1H-tetrazol-1-yl)acetohydrazide with various aromatic aldehydes. Cyclocondensation of Schiff’s bases with acetic anhydride results in 1,3,4-oxadiazol...

2010
Hoong-Kun Fun Madhukar Hemamalini Nithinchandra Balakrishna Kalluraya

In the title sydnone compound, C(20)H(18)ClN(7)O(4)S, the oxadiazole, triazole, chloro-substituted and meth-oxy-substituted phenyl rings are essentially planar, with maximum deviations of 0.007 (3), 0.009 (2), 0.017 (2) and 0.002 (3) Å, respectively. The dihedral angles between the chloro-substituted phenyl ring and the triazole ring, the triazole ring and the oxadiazole ring, and the oxadiazol...

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