9 research outputs found

    The extraordinary gravity of three atom 4Ï€-components and 1,3-dienes to C<sub>20-nXn</sub> fullerenes; a new gate to the future of Nano technology

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    A quick glance to the adsorption, sensing, and energy storage abilities of C&lt;sub&gt;20&lt;/sub&gt; fullerene and its derivatives indicate that this small carbon cluster may have extraordinary properties which would make it a key part of the future of Nano actuators and Nano machines. For example, in the case of the gravity of three atom 4Ï€-components (TACs) to these carbon cages, it should be noted that; the rate constants (K)s of the reaction of C&lt;sub&gt;20&lt;/sub&gt; fullerene with 1,3-butadiene (Diels-Alder (DA) process), and with 2-furan nitrile oxide ([3+2] cycloaddition (32CA process)) are 2.51(10&lt;sup&gt;11&lt;/sup&gt;) M&lt;sup&gt;-1&lt;/sup&gt; s&lt;sup&gt;-1&lt;/sup&gt;, and 1.4(10&lt;sup&gt;7&lt;/sup&gt;) M&lt;sup&gt;-1&lt;/sup&gt;s&lt;sup&gt;-1&lt;/sup&gt;, respectively. However, the rate constant of the 32CAreaction between norbornadiene and 3,4-dihydro isoquinoline-N-oxide is about 2.56(10&lt;sup-5&lt;/sup&gt;) M&lt;sup&gt;-1&lt;/sup&gt; s&lt;sup&gt;-1&lt;/sup&gt; (both by DFT and by experimental results). This simple comparison could show the extraordinary gravity of some TACs and dienes to C&lt;sub&gt;20&lt;/sub&gt; fullerenes

    An Industrial Approach to Production of Tofacitinib Citrate (TFC) as an Anti-COVID-19 Agent: A Joint Experimental and Theoretical Study

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    In this report, we have presented our experience about a facile method for synthesis of tofacitinib citrate (TFC). The developed analytical methods for identification and qualifications are also included. As TFC seems to be effective in treatment of the symptoms of COVID-19 (SARS family), manufacturing of this active pharmaceutical ingredient (API) could be helpful. The API of TFC was prepared from the diamine intermediate in an ambient and solvent-free condition. Elimination of the reaction solvent resulted in decreasing the cost and preventing the rejection of the organic volatile impurity (OVI) test. The final citrate addition step was carried out using water as a solvent (the citrate content was 37.5% by potentiometry). Moreover, the results of the Karl-Fischer (KF) titration analysis was about 0.24%, which showed that the use of water does not increase the water content of the crystal structure

    Diels-Alder versus

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    A clean industrial scheme for de-ketalization of EIDD-2801 intermediate in water to give molnupiravir (MK-4482) anti-COVID-19 agent (containing its pharmaceutical analytical analysis)

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    Due to the need for molnupiravir (EIDD-2801, MK-4482) anti-COVID-19 agent, in the present report, we have systematically investigated the effect of different solvents, acids (as catalyst), temperature, and other parameters which play rolls in De-ketalization process of its key intermediate. At the first glance, it might seem to be easy, but the complex nature of MK-4482 agent, and also the ultra-high purity of the crude (which is required for an active pharmaceutical ingredient (API)), make this process more complicated. As would be shown below, even a little change in the type of solvent, solvent ratio, the type or the amount of catalyst, and the temperature could directly change the reaction fate (it may lead to emergence of un-controlled impurity profile, or even it could block the reaction). However, in this work, we have been able to run this de-ketalization process only in water as the whole of the system. Here, it was observed that the high energy water molecules have been able to hydrolyze the ketal intermediate of MK-4482
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