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1.
Vikas?D.?GhuleEmail author Dharavath?Srinivas S.?Radhakrishnan Pandurang?M.?Jadhav Surya?P.?Tewari 《Structural chemistry》2012,23(3):749-754
Density functional theory has been used to investigate geometries, heats of formation (HOFs), C-NO2 bond dissociation energies (BDEs), and relative energetic properties of nitro derivatives of azole substituted furan. HOFs for a series of molecules were calculated by using density functional theory (DFT) and Møller–Plesset (MP2) methods. The density is predicted using crystal packing calculations; all the designed compounds show density above 1.71 g/cm3. The calculated detonation velocities and detonation pressures indicate that the nitro group is very helpful for enhancing the detonation performance for the designed compounds. Thermal stabilities have been evaluated from the bond dissociation energies. Charge on the nitro group was used to assess the impact sensitivity in this study. According to the results of the calculations, tri- and tetra-nitro substituted derivatives reveal high performance with better thermal stability. 相似文献
2.
Dongamanti Ashok M. Ram Reddy Katta Ramakrishna Nalaparaju Nagaraju Ravinder Dharavath Madderla Sarasija 《Journal of heterocyclic chemistry》2020,57(6):2528-2534
Herein, we reported a series of new 2-(5-methyl-1-aryl-1H-1,2,3-triazol-4-yl)imidazo[1,2-a]pyridines by using iodine and NH4OAc in good yields. The structures of the titled compounds were characterized by the elemental analysis, 1H NMR, 13C NMR, IR, and mass spectral analysis. All the titled compounds were screened for their in vitro antibacterial and antifungal activities by using streptomycin and Nystatin as standard drugs. The compounds 3k , 3l , 3g , and 3c exhibited potent activity against the tested bacterial strains and 3k , 3l , and 3c exhibited potent activity against the tested fungal strains than the reference drugs. 相似文献
3.
Two straightforward and convenient routes for the synthesis of the antimalarial agents FR900098 and fosmidomycin are described. In the key steps N- or P-alkylation reactions are used. The best overall yields of FR900098 and fosmidomycin in 15 mmol scale are 83% and 68%, respectively. These routes utilize readily available materials and avoid harsh conditions. 相似文献
4.
Structural Chemistry - Thirteen tetranitro-diazinodiazines have been designed and investigated to find the importance of diazinodiazine fused-heterocyclic backbone for energetic materials. The... 相似文献
5.
Abhishek Kumar Yadav Manojkumar Jujam Vikas D. Ghule Srinivas Dharavath 《Journal of heterocyclic chemistry》2024,61(3):401-406
A series of five and six-membered C-C bonded energetic materials ( 2 – 7 ) based on a combination of imidazole-triazine and triazole-triazine backbones were designed, synthesized, and characterized using NMR, IR, Mass spectrometry, and TGA-DSC studies. Further, the structure of compound 4 was supported by single-crystal X-ray analysis. All the newly synthesized energetic compounds exhibit good density, excellent thermal stability, good detonation performance, and low mechanical sensitivity toward impact and friction. Among all, the nitrate salt 4 exhibits balanced properties, including high density (1.80 g cm−3), excellent thermal stability (254°C), good detonation velocity (8178 m s−1), and low sensitivity towards impact and friction. The facile synthetic feasibility, thermal stability, energetic performance, and insensitivity of all the molecules suggest they can be used as an insensitive secondary explosive in various defense and civilian applications. 相似文献
6.
Ravi Dharavath 《合成通讯》2019,49(14):1741-1749
An effective, mild, and convenient method for the synthesis of 10 new substituted 9-methyl-6-aryl-[1,2,4]triazolo[4,3-a][1,8]naphthyridines (5a–j) by the oxidation of the corresponding 2-(2-ethylidenehydrazinyl)-3-aryl-1,8-naphthyridines (4a–j) using chloranil under conventional method has been described. The structures of synthesized compounds (5a–j) were established on the basis of their elemental analysis and spectral (IR, Mass, 13C- and1H-NMR) data. The new compounds were synthesized with the objective of studying their antibacterial activity. The reaction will be characterized by easy workup, good efficacy, simple purification of the products, and availability of catalyst. 相似文献
7.
Sakram Boda Ravi Dharavath Raghupathi Mutyala Kumar Boda Sathish Anantha Lakshmi P. V. 《Research on Chemical Intermediates》2019,45(4):2007-2022
Research on Chemical Intermediates - The synthesis of 4-aryl-2-(3-(2-(trifluoromethyl)phenyl)-1,8-naphthyridin-2-yl)phthalazin-1(2H)-ones was performed by cyclization of... 相似文献
8.
Automated statistical experimental design approach for rapid separation of coenzyme Q10 and identification of its biotechnological process related impurities using UHPLC and UHPLC–APCI‐MS
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Murali V.N. Kumar Talluri Pradipbhai D. Kalariya Shireesha Dharavath Naeem Shaikh Prabha Garg Nageswara Rao Ramisetti Srinivas Ragampeta 《Journal of separation science》2016,39(18):3528-3535
A novel ultra high performance liquid chromatography method development strategy was ameliorated by applying quality by design approach. The developed systematic approach was divided into five steps (i) Analytical Target Profile, (ii) Critical Quality Attributes, (iii) Risk Assessments of Critical parameters using design of experiments (screening and optimization phases), (iv) Generation of design space, and (v) Process Capability Analysis (Cp) for robustness study using Monte Carlo simulation. The complete quality‐by‐design‐based method development was made automated and expedited by employing sub‐2 μm particles column with an ultra high performance liquid chromatography system. Successful chromatographic separation of the Coenzyme Q10 from its biotechnological process related impurities was achieved on a Waters Acquity phenyl hexyl (100 mm × 2.1 mm, 1.7 μm) column with gradient elution of 10 mM ammonium acetate buffer (pH 4.0) and a mixture of acetonitrile/2‐propanol (1:1) as the mobile phase. Through this study, fast and organized method development workflow was developed and robustness of the method was also demonstrated. The method was validated for specificity, linearity, accuracy, precision, and robustness in compliance to the International Conference on Harmonization, Q2 (R1) guidelines. The impurities were identified by atmospheric pressure chemical ionization‐mass spectrometry technique. Further, the in silico toxicity of impurities was analyzed using TOPKAT and DEREK software. 相似文献
9.
One‐Pot Three‐Component Domino Reaction for the Synthesis of Novel Spiro Indolinyl Isoxazolo[2,3‐c][1,3,5]Thiadiazepinones Catalyzed by PTSA
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Rajanarendar Eligeti Nagaraju Dharavath Ramakrishna Saini 《Journal of heterocyclic chemistry》2014,51(6):1814-1817
The synthesis of novel spiro indolinyl isoxazolo[2,3‐c] [1,3,5]thiadiazepinones has been achieved by using one‐pot three‐component domino reaction from 3‐amino‐5‐methylisoxazole, substituted isatins, and mercapto acetic acid by employing p‐toluene sulfonic acid as Lewis acid catalyst. The salient features of the present method are mild reaction conditions, cost effective, environmentally benign, high yields of products and operational simplicity. 相似文献
10.
Dharavath Srinivas Dr. Vikas D. Ghule Dr. Krishnamurthi Muralidharan Prof. H. Donald B. Jenkins 《化学:亚洲杂志》2013,8(5):1023-1028
1,1,3,3‐Tetra(1H‐tetrazol‐5‐yl)propane‐based energetic salts were synthesized in a simple and straightforward manner. The structures of these new salts were determined by 1H and 13C NMR spectroscopy, IR spectroscopy, MS, and elemental analysis. All of these compounds showed good thermal stabilities above 180 °C, as confirmed by thermogravimetric–differential thermal analysis (TG–DTA) measurements. Moreover, these salts also exhibited high positive enthalpies of formation, high nitrogen content, good thermal stabilities, and moderate detonation properties. 相似文献