- Synthesis and solid-state structures of dimethyl 2,2′-bithiophenedicarboxylates
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The syntheses of dimethyl 2,2′-bithiophene-4,4′-dicarboxylate (3), dimethyl 2,2′-bithiophene-3,4′-dicarboxylate (4), and dimethyl 2,2′-bithiophene-3,3′-dicarboxylate (5) are described. Single-crystal X-ray structural analysis of these compounds shows that the thiophene rings in 3 and 4 are nearly coplanar (dihedral angle close to 0°) and they adopt the anti sulfur conformation in the solid state. Further, the structure of 4 is in agreement with our previous suggestion that there is an electrostatic stabilization of the planar structure due to attraction of the 3-carbonyl oxygen to the sulfur of the distal ring. In 5, however, the thiophene rings are nearly perpendicular (dihedral angle 75°), indicating considerable steric hindrance between the two large ester groups at the 3- and 3′-positions. Unlike compounds 3 and 4, where the thiophene rings have the sulfur atoms anti, the sulfur atoms in 5 are completely syn. This is the first instance where a bithiophene has been shown to adopt a conformation where the sulfur atoms are completely syn. The solid-state conformations of 3, 4, and 5 are in agreement with ab initio theoretical calculations on these compounds; particularly, the planar conformations of 3 and 4 reflect the previously calculated low rotation barriers of these molecules.
- Pomerantz, Martin,Amarasekara, Ananda S.,Rasika Dias
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- An attempt to synthesize a terthienyl-based analog of indacenedithiophene (IDT): unexpected synthesis of a naphtho[2,3-b]thiophene derivative
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We report herein our attempt to synthesize an analog of indacenedithiophene (IDT) based on a tetraphenylhexyl substituted, covalently bridgedsyn-terthienyl unit. Instead of the expected compound the adopted synthetic route led to the formation of an unexpected, new naphtho[2,3-b]thiophene derivative. The structure of this compound was fully characterized by NMR and HRMS as well as single crystal X-ray diffraction and its electronic properties have been analyzed by UV-vis absorption spectroscopy and cyclic voltammetry. A possible mechanism for the formation of this compound is also proposed on the basis of detailed theoretical investigations.
- Anghel, C?t?lin C.,Stroia, Ioan,Pop, Alexandra,Bende, Atilla,Grosu, Ion,H?dade, Niculina D.,Roncali, Jean
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- Regioisomeric π-conjugated terpolymers bearing carboxylate substituted thienothiophenyl quarterthiophene and their application to fullerene-free polymer solar cells
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Two regioisomeric π-conjugated terpolymers bearing carboxylated thiophene (CT) as electron accepting unit and thienothiophene (TT) and bithiophene (BT) as electron donating units were successfully synthesized for enhancing the performance of polymer solar cells (PSCs). Regio-regular and regio-random binary copolymers based on CT and BT were also prepared as control polymers. All polymers showed unique optical properties and crystalline behaviors. Among the PSC devices fabricated in this study, the PSC based on the regio-random terpolymer (Ran-TT) and 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis (4-hexylphenyl) dithieno [2,3-d:2′,3′-d′]-s-indaceno [1,2-b:5,6b′]-dithiophene (ITIC) exhibited the highest power conversion efficiency of 5.65% with a high short circuit current density (Jsc) of 12.63 mA cm?2 and an open circuit voltage (Voc) of 0.81 V. The promising PCE value is attributed to the low-lying highest occupied molecular orbital (HOMO) of Ran-TT, effective complementary absorption spectrum and favorable internal morphology of the blend film. The internal morphology of the Ran-TT was observed to be more fine phase separation than that of the regio-regular terpolymer, facilitating exciton diffusion and dissociation in the bulk heterojunction.
- Park, Chang Geun,Park, Gi Eun,Lee, Ji Hyung,Kim, Aesun,Kim, Young Un,Park, Seo Yeon,Park, Su Hong,Cho, Min Ju,Choi, Dong Hoon
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- NEAR-INFRARED ABSORBING DYE, OPTICAL FILTER, AND IMAGING DEVICE
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A near-infrared absorbing dye includes a compound represented by formula (A). Each of R11 to R14 is independently a hydrogen atom, a halogen atom, a hydroxyl group, or an alkyl, aryl or alaryl group. Each of pairs R11 and R12, R12 and R13, and R13 and R14 may combine with one another to form a monocyclic ring or a polycyclic ring in which from 2 to 4 rings are fused. Each of R15 and R16 is independently an alkyl or alaryl group. R15 and R16 may combine with one another to form a cyclohetero ring having from 5 to 10 members together with the nitrogen atom.
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Paragraph 0171-0172
(2021/03/13)
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- HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF
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The present invention relates to a histone acetyltransferase (HAT) inhibitor. Provided are a compound represented by general formula I, a pharmaceutically acceptable salt, a stereoisomer, an enantiomer, a diastereomer, an atropisomer, a racemate, a polymorph, a solvate or an isotope-labeled compound (including deuterium substitution) thereof, a preparation method therefor, a pharmaceutical composition comprising the same, and use thereof in the treatment of various HAT-related diseases or conditions.
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Paragraph 0722-0723
(2021/02/25)
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- TRICYCLIC COMPOUND SERVING AS IMMUNOMODULATOR
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Provided are compounds of formula I and formula II or pharmaceutically acceptable salts of the compounds and pharmaceutical compositions thereof. The compounds of formula I and formula II or the pharmaceutically acceptable salts of the compounds provide indole 2,3-dioxygenase (IDO) inhibitory activity and are capable of treating IDO-mediated immunosuppressive diseases, such as infectious diseases or cancer.
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Paragraph 0185-0186
(2019/01/04)
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- A 2 - bromo - 3 - thiophene carboxylic acid intermediates of the synthesis method (by machine translation)
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The invention relates to 2 - bromo - 3 - thiophenecarboxylic acid synthesis method, comprises the following synthetic steps: 1): by 3 - methyl thiophene as raw materials, adding N - bromosuccinimide synthesis of 2 - bromo - 3 methyl thiophene; 2): by the 2 - bromo - 3 methyl thiophene to carbon tetrachloride as solvent, azobisisobutyronitrile as initiator with the N - bromosuccinimide synthesis of 2 - bromo - 3 - (bromomethyl) thiophene; 3): by the 2 - bromo - 3 - (bromomethyl) thiophene is 2 - iodo acyl benzoic acid oxidation to obtain 2 - bromo - 3 - thiophene formaldehyde; 4): by the 2 - bromo - 3 - thiophene formaldehyde sodium hydroxide aqueous solution as the solvent, is potassium permanganate oxidation to obtain 2 - bromo - 3 - thiophenecarboxylic acid. The invention has the advantages of: this invention uses the first to 2 of bit bromine substituted, then 3 of the oxidation of the synthetic route, mild reaction conditions, reactants are cheap and easily obtained, the yield is high. 2nd, greatly inhibit the double-bromo product, increasing the yield. (by machine translation)
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Paragraph 0025-0029; 0043; 0053-0055
(2017/08/28)
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- Large conductance calcium-activated k channel opener
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There are disclosed a large conductance calcium-activated K channel opener comprising a compound of the formula (I): wherein ring A is a 5-membered heterocyclic ring containing any one of O, N or S, which ring may be substituted by R4, R1
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Page/Page column 16
(2008/06/13)
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- Phosphorylamides, their preparation and use
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A phosphorylamide derivative represented by the general formula (I): STR1 wherein R represents an amino group that may be substituted, or a salt thereof, possesses potent antibacterial activity against Helicobacter bacterium, especially Helicobacter pylori, and is useful for prevention or treatment of digestive diseases caused by Helicobacter bacterium, solely or in combination with an antacid or an acid secretion inhibitor.
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