2,5-Dicarbomethoxy-3,4-dimethylthiophene | 19799-12-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2,5-Dicarbomethoxy-3,4-dimethylthiophene
• 英文别名: 3,4-dimethylthiophene-2,5-dicarboxylate；2,5-Dimethoxycarbonyl-3,4-dimethyl-thiophen；3,4-Dimethyl-2,5-bis-methoxycarbonyl-thiophen；3,4-dimethyl-thiophene-2,5-dicarboxylic acid dimethyl ester；Dimethyl 3,4-dimethylthiophene-2,5-dicarboxylate
• CAS: 19799-12-3
• 化学式: C₁₀H₁₂O₄S
• 分子量: 228.269
• InChiKey: MUJXTTVSIGKEFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,5-Dicarbomethoxy-3,4-dimethylthiophene 在 potassium carbonate 、 一水合肼 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 10.0h， 生成 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide
  参考文献：
  名称：

  Synthesis and biological evaluation of novel benzimidazole derivatives and their binding behavior with bovine serum albumin

  摘要：

  A series of novel benzimidazole derivatives were synthesized and characterized by H-1 NMR, C-13 NMR, MS, IR and HRMS spectra. All the new compounds were screened for their antimicrobial activities in vitro by two-fold serial dilution technique. Bioactive assay manifested that the bis-benzimidazole derivative lid and its hydrochloride 13b exhibited remarkable antimicrobial activities, which were comparable or even better than the reference drugs Norfloxacin, Chloromycin and Fluconazole. The interaction evaluation of compound 11d with bovine serum albumin (BSA) by Fluorescence and UV-vis absorption spectroscopic method showed that BSA could generate fluorescent quenching under approximately human physiological conditions by the prepared benzimidazole compound lid as result of the formation of ground-state compound 11d BSA complex. The thermodynamic parameters indicated that the hydrogen bonds and van der Waals forces played major roles in the strong association of benzimidazole lid and BSA. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.07.015
• 作为产物：
  描述：

  5-氰基-3,4-二甲基噻吩-2-羧胺 在 氯化亚砜 、 硫酸 作用下， 反应 4.75h， 生成 2,5-Dicarbomethoxy-3,4-dimethylthiophene
  参考文献：
  名称：

  Synthesis of the First Thieno[3,4-c]thiophene Stabilized Only by Electronic Effects

  摘要：

  The stable, crystalline 1,3-dibromo-4,6-dicyanothieno[3,4-c]thio (3a) has been synthesized. This is the first example of a thieno[3,4-c]thiophene stabilized solely by electronic effects. The dicarbomethoxy dibromo analog 3b and the tetrabromo analog 3c were also-generated and found to be considerably less stable.

  DOI：

  10.1021/jo00087a045

文献信息

• AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS
  申请人：Cadieux Jean-Jacques

  公开号：US20100240713A1

  公开（公告）日：2010-09-23

  This invention is directed to compounds of formula (I), wherein m, formula (II), R 1 , R 2 and R 3 are as defined herein, as a stereoisomer, enantiomer, tautomer thereof or mixtures thereof; or a pharmaceutically acceptable salt, solvate or prodrug thereof, for the treatment of iron disorders. This invention is also directed to pharmaceutical compositions comprising the compounds and methods of using the compounds to treat iron disorders.

  本发明涉及式（I）的化合物，其中m、式（II）、R1、R2和R3如本文所定义，作为立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂或前药，用于治疗铁代谢紊乱。本发明还涉及包含该化合物的制药组合物以及使用该化合物治疗铁代谢紊乱的方法。
• Novel titanium (IV) diolate complexes with thiophene-containing OSO-type ligand as pre-catalyst for ethylene polymerization and ethylene - propylene copolymerization
  作者：Vladislav A. Tuskaev、Svetlana Ch. Gagieva、Andrei V. Churakov、Dmitrii A. Kurmaev、Kasim F. Magomedov、Maria D. Evseeva、Evgenii K. Golubev、Mikhail I. Buzin、Galina G. Nikiforova、Daniele Saracheno、Stanislav S. Shatokhin、Boris M. Bulychev

  DOI：10.1016/j.jorganchem.2022.122457

  日期：2022.10

  system for ethylene polymerization with an activity up to 2 tons PE·molTi-1·atm-1·h-1. Linear ultrahigh molecular weight polyethylenes (1.9-5.7 106 Da) were obtained under these conditions. The obtained polyethylenes are suitable for the modern methods of polymer processing - the solventless solid state formation of super high-strength (breaking strength up to 2.6 GPa) and high-modulus (elastic modulus up

  已合成并表征了具有含有额外供体硫原子的二醇配体的新型钛 (IV) 配合物。配合物2的结构通过X射线衍射确定。钛原子采用由两个配体的氧原子和异丙氧基形成的扭曲的四面体几何形状。用Et n AlCl 3-n  + Bu 2 Mg}活化这些配合物产生了用于乙烯聚合的高活性催化体系，其活性高达2吨PE·mol Ti -1 ·atm -1 ·h -1。线性超高分子量聚乙烯（1.9-5.7 10 6Da)是在这些条件下获得的。所得聚乙烯适用于现代聚合物加工方法——超高强度（断裂强度高达 2.6 GPa）和高模量（弹性模量高达 164 GPa）的取向薄膜和薄膜带的无溶剂固态形成。预催化剂1-3在乙烯-丙烯共聚中也具有活性，产生丙烯单元含量在28-33％范围内的共聚物。«离去» 单齿 σ-配体 (Cl, OiPr 和 N(CH 3 ) 2 ) 和有机铝助催化剂 (Et 2 AlCl 和 Et 3 Al 2
• Chemotherapy of Experimental Tuberculosis. VIII. The Synthesis of Acid Hydrazides, their Derivatives and Related Compounds^1,2
  作者：Harry L. Yale、Kathryn Losee、Joseph Martins、Mary Holsing、Frances M. Perry、Jack Bernstein

  DOI：10.1021/ja01104a046

  日期：1953.4
• Beye Norbert, Cava Michael P., J. Org. Chem, 59 (1994) N 8, S 2223-2226
  作者：Beye Norbert, Cava Michael P.

  DOI：——

  日期：——
• [EN] AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS<br/>[FR] COMPOSÉS AROMATIQUES ET HÉTÉROAROMATIQUES UTILES DANS LE TRAITEMENT DE TROUBLES DU MÉTABOLISME DU FER
  申请人：XENON PHARMACEUTICALS INC

  公开号：WO2008151288A2

  公开（公告）日：2008-12-11

  [EN] This invention is directed to compounds of formula (I), wherein m, formula (II), R1, R2 and R3 are as defined herein, as a stereoisomer, enantiomer, tautomer thereof or mixtures thereof; or a pharmaceutically acceptable salt, solvate or prodrug thereof, for the treatment of iron disorders. This invention is also directed to pharmaceutical compositions comprising the compounds and methods of using the compounds to treat iron disorders.
  [FR] La présente invention concerne des composes de formule (I), dans laquelle m, formule (II), R1, R2 et R3 sont tels que définis dans la description, sous forme d'un stéréoisomère, énantiomère, tautomère de ceux-ci ou leurs mélanges ; ou un sel, solvate ou promédicament pharmaceutiquement acceptable de ceux-ci, pour le traitement de troubles du métabolisme du fer. L'invention concerne également des compositions pharmaceutiques comportant les composés et des procédés d'utilisation des composés pour traiter des troubles du métabolisme du fer.