- Ferroelectric and Spin Crossover Behavior in a Cobalt(II) Compound Induced by Polar-Ligand-Substituent Motion
-
Ferroelectric spin crossover (SCO) behavior is demonstrated to occur in the cobalt(II) complex, [Co(FPh-terpy)2](BPh4)2?3ac (1?3 ac; FPh-terpy=4′-((3-fluorophenyl)ethynyl)-2,2′:6′,2′′-terpyridine) and is dependent on the d
- Akiyoshi, Ryohei,Dekura, Shun,Donoshita, Masaki,Hayami, Shinya,Kitagawa, Hiroshi,Kitagawa, Yasutaka,Komatsumaru, Yuki,Lindoy, Leonard F.,Yoshida, Yukihiro
-
-
Read Online
- Palladium-catalyzed tandem C-H functionalization/cyclization strategy for the synthesis of 5-hydroxybenzofuran derivatives
-
A palladium-catalyzed benzoquinone C-H functionalization/ cyclization strategy with terminal alkynes was employed for the synthesis of some biologically relevant 2, 3-disubstituted 5-hydroxybenzofuran derivatives. The benzoquinone acts as a reactant as well as an oxidant. During the process, an additional alkyne functionality can be introduced at the C3 position of the benzofuran. Base, ligand, and external oxidant are not required in this protocol.
- Ichake, Sachin S.,Konala, Ashok,Kavala, Veerababurao,Kuo, Chun-Wei,Yao, Ching-Fa
-
supporting information
p. 54 - 57
(2017/11/28)
-
- Reaction discovery using acetylene gas as the chemical feedstock accelerated by the stop-flow micro-tubing reactor system
-
Acetylene gas has been applied as a feedstock under transition-metal catalysis and photo-redox conditions to produce important chemicals including terminal alkynes, fulvenes, and fluorinated styrene compounds. The reaction discovery process was accelerated through the use of stop-flow micro-tubing reactors. This reactor prototype was developed by joining elements from both continuous micro-flow and conventional batch reactors, which was convenient and effective for gas/liquid reaction screening. Notably, the developed transformations were either inefficient or unsuccessful in conventional batch reactors. Its success relies on the unique advantages provided by this stop-flow micro-tubing reactor system.
- Xue, Fei,Deng, Hongping,Xue, Chengwen,Mohamed, Dara Khairunnisa Binte,Tang, Karen Yuanting,Wu, Jie
-
p. 3623 - 3627
(2017/07/11)
-
- Visible-Light-Promoted Vinylation of Tetrahydrofuran with Alkynes through Direct C-H Bond Functionalization
-
(Chemical Equation Presented) Mild and direct C-H bond functionalizations and vinylations of tetrahydrofuran with alkynes have been accomplished through visible light photocatalysis, yielding a range of vinyl tetrahydrofurans under the synergistic actions of organic dye-type photocatalyst eosin Y, tert-butyl hydroperoxide (t-BuOOH), and a 45 W household lightbulb. A significant kinetic isotope effect (KIE) was recorded, which helps shed light on the mechanistic course.
- Li, Jing,Zhang, Jing,Tan, Haibo,Wang, David Zhigang
-
p. 2522 - 2525
(2015/05/27)
-
- Rapid discovery of a novel series of Abl kinase inhibitors by application of an integrated microfluidic synthesis and screening platform
-
Drug discovery faces economic and scientific imperatives to deliver lead molecules rapidly and efficiently. Using traditional paradigms the molecular design, synthesis, and screening loops enforce a significant time delay leading to inefficient use of data in the iterative molecular design process. Here, we report the application of a flow technology platform integrating the key elements of structure-activity relationship (SAR) generation to the discovery of novel Abl kinase inhibitors. The platform utilizes flow chemistry for rapid in-line synthesis, automated purification, and analysis coupled with bioassay. The combination of activity prediction using Random-Forest regression with chemical space sampling algorithms allows the construction of an activity model that refines itself after every iteration of synthesis and biological result. Within just 21 compounds, the automated process identified a novel template and hinge binding motif with pIC50 > 8 against Abl kinase - both wild type and clinically relevant mutants. Integrated microfluidic synthesis and screening coupled with machine learning design have the potential to greatly reduce the time and cost of drug discovery within the hit-to-lead and lead optimization phases.
- Desai, Bimbisar,Dixon, Karen,Farrant, Elizabeth,Feng, Qixing,Gibson, Karl R.,Van Hoorn, Willem P.,Mills, James,Morgan, Trevor,Parry, David M.,Ramjee, Manoj K.,Selway, Christopher N.,Tarver, Gary J.,Whitlock, Gavin,Wright, Adrian G.
-
supporting information
p. 3033 - 3047
(2013/05/22)
-
- A one-pot synthesis of terminal alkynes from anti-3-aryl-2,3- dibromopropanoic acids under microwave irradiation
-
A facile one-pot synthesis of terminal alkynes was achieved by microwave irradiation of a mixture of anti-3-aryl-2,3-dibromopropanoic acids, Et 3N and DMF and subsequent irradiation in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU). This method requires short reaction time (1-2 min) and gives terminal alkynes in high yields. Copyright
- Kuang, Chunxiang,Senboku, Hisanori,Tokuda, Masao
-
-
- Preparation of Fluorine-Containing Phenylacetylenes by the Method of Introduction of the Ethynyl Group Using 1,1-Dichloro-2,2-difluroethene
-
Phenylacetylenes (ArCCH) having fluoro- or trifluoromethyl substituents (o-, m-, p-F; o-, m-, p-CF3; 2,4-, 2,5-, 2,6-, 3,5-(CF3)2) have been prepared from bromobenzenes (ArBr) and benzenes (ArH) using 1,1,-dichloro-2,2-difluoroethene (1) by a two-step route: ArLi or ArMgBr->ArCF=CCl2->ArCCLi.Upon careful treatment at -70 deg C with 1, o-fluorophenyllithium gave o-FC6H4CF=CCl2 in good yield, together with benzyne-derived products, such as o-(o-FC6H4)C6H4CF=CCl2.Lithiation of m-bis(trifluoromethyl)benzene at 0 deg C for 9 h (24 h) followed by treatment with bromine gave 1-bromo-2,4-, 2,6-, and 3,5-bis(trifluoromethyl)benzene in 35 (38), 31 (36), and 8percent (6percent) yield, respectively.
- Kodaira, Kazuo,Okuhara, Kunio
-
p. 1625 - 1632
(2007/10/02)
-
