Reaction Mechanism of a Nonheme Iron Enzyme Catalyzed Oxidative Cyclization via C–C Bond Formation

2018 ◽  
Vol 21 (1) ◽  
pp. 228-232 ◽  
Author(s):  
Wei-chen Chang ◽  
Zhi-Jie Yang ◽  
Yueh-Hua Tu ◽  
Tun-Cheng Chien
2017 ◽  
Vol 15 (30) ◽  
pp. 6367-6374 ◽  
Author(s):  
Song-Lin Zhang ◽  
Hai-Xing Wan ◽  
Zhu-Qin Deng

A detailed computational study is presented on the reaction mechanism of ynamide-mediated condensation of carboxylic acids with amines to produce amides, which elucidates the reactivity pattern of the coupling reagent ynamide and discloses crucial bifunctional catalytic effects of the carboxylic acid substrate during aminolysis.


Author(s):  
Hakan Sezgin Sayiner ◽  
Fatma Genç ◽  
Fatma Kandemirli

Drug interactions can have desired, reduced or unwanted effects. The probability of interactions increases with the number of drugs taken. Side effects or therapeutic drug interactions can increase or decrease the effects of one or two drugs. Failure may result from clinically meaningful interactions. Clinicians rarely use foreseeable drug-drug interactions to produce the desired therapeutic effect. For example, when we consider two drugs each causing, peripheral neuropathy increases the likelihood of neuropathy occurrence. In this study geometry optimizations of tigecycline and sulbactam drugs and their combination have been carried out with the evaluation of B3LYP/6-311G (d, p), B3LYP/6-311G (2d, 2p) levels, and the reaction mechanism at semi empirical PM6, which was parameterized for biochemical systems and B3LYP/6-311G (d,p) levels. The main objective of the study is to understand the interaction ofsulbactam with tigecycline, to describe energetic condition of bond formation and electronic structure (orders of the broken and formed bonds). The reaction mechanisms of sulbactam with tigecycline have been studied as stepwise and concerted mechanisms using semi-empircal PM6 and B3LYP/6-311G (d,p) levels.


2018 ◽  
Vol 83 (6) ◽  
pp. 3200-3207 ◽  
Author(s):  
Lei Zhang ◽  
Zhenxing Zhang ◽  
Junting Hong ◽  
Jian Yu ◽  
Jianning Zhang ◽  
...  

Synlett ◽  
2018 ◽  
Vol 29 (13) ◽  
pp. 1717-1722 ◽  
Author(s):  
Manjula Alla ◽  
Gal Potuganti ◽  
Divakar Indukuri

An efficient one-pot synthesis of quinazolino[4,3-b]quinazoline derivatives has been accomplished, starting from 2-(2-bromo­phenyl)quinazolin-4(3H)-one, aldehydes, and various nitrogen sources under aerobic conditions. The multicomponent protocol is mediated by copper(I) salts and involves amination of 2-(2-bromophenyl)quinazolin-4(3H)-one, followed by condensation with the aldehyde and an oxidative cyclization to give the target compounds in moderate to good yields.


2000 ◽  
Vol 72 (9) ◽  
pp. 1715-1719 ◽  
Author(s):  
O. G. Kulinkovich

Dialkoxytitanacyclopropane intermediates [or titanium (II)-olefin complexes] generated in situ from ethylmagnesium bromide and titanium (IV) isopropoxide react with allylic alcohols and allylic ethers to afford SN2' allylic ethylation products. The reaction proceeds with high regioselectivity and with low to high trans-/cis-stereoselectivity. This observation and others suggest a reaction mechanism involving an EtMgBr-initiated formation of titanacyclopentane ate complex 10 from titanacyclopropane-olefin complex 7 as a key step. Based on this assumption, a modified mechanism of titanium-mediated cyclopropanation of esters with Grignard reagents is proposed.


2017 ◽  
Vol 53 (65) ◽  
pp. 9063-9066 ◽  
Author(s):  
Bing Yang ◽  
Qing-Qing Yang ◽  
Xin Jiang ◽  
Bin Chen ◽  
Chen-Ho Tung ◽  
...  

We describe here a new complex 1 by subtle modulation of the TPA ligand and succeed in capturing the high-valent FeIV(O) species, which is responsible for the O–O bond formation and oxygen evolution with higher efficiency.


RSC Advances ◽  
2015 ◽  
Vol 5 (5) ◽  
pp. 3781-3785 ◽  
Author(s):  
Pitchai Manivel ◽  
Kamalakannan Prabakaran ◽  
Upasana Banerjee ◽  
Fazlur-Rahman Nawaz Khan ◽  
Euh Duck Jeong ◽  
...  

Intramolecular C–N bond formation is achieved through oxidative cyclization of 1-(3-arylisoquinolin-1-yl)-2-(arylmethylene)hydrazines, 3, in the presence of hypervalent iodine oxidant and dichloromethane at ambient temperature.


2021 ◽  
Author(s):  
Fulin Zhang ◽  
Ruihua Zhao ◽  
Lei Zhu ◽  
Yinghua Yu ◽  
Saihu Liao ◽  
...  

<b>Isoindolinone is a class of versatile <i>N</i>-heterocycles embedded in many bioactive molecules and natural products. The invention of new methods to synthesize these heterocyclic compounds with easily accessible chemicals is always attractive. Herein, a conceptually novel approach to access this bicyclic system via isonitrile insertion enabled 1,4-pallaidum shift is described. Compared with conventional isonitrile participated C-H bond activation, both carbon and nitrogen atoms in isonitrile moiety are engaged in new bond formation. Notably, two different isoindolinones can be obtained selectively by switching the bases employed. Mechanistic studies including DFT calculations have shed lights on the reaction mechanism and explained the selectivity led to different products. Moreover, the power of current benzolactamization is further demonstrated by providing concise routes to key intermediates of indoprofen, indobufen, aristolactams, lennoxamine and falipamil.</b>


Heterocycles ◽  
1978 ◽  
Vol 9 (5) ◽  
pp. 635 ◽  
Author(s):  
Taro Nomura ◽  
Toshio Fukai

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