2-thiophenylboric acid | 859080-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-thiophenylboric acid
• 英文别名: 2-Thienylboric acid；thiophen-2-yloxyboronic acid
• CAS: 859080-50-5
• 化学式: C₄H₅BO₃S
• 分子量: 143.959
• InChiKey: OHOVBSAWJQSRDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-thiophenylboric acid 、 2-溴-5-(4-甲氧基苯基)噻吩 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 生成 5-(4-methoxyphenyl)-2,2'-bithiophene
  参考文献：
  名称：

  Bisthiophene/triazole based 4,6-diamino-1,3,5-triazine triblock polyphiles: Synthesis, self-assembly and metal binding properties

  摘要：

  Two series of 4,6-diamino-1,3,5-triazine triblock polyphiles consisting of an extremely long bisthiophene/triazole based rigid cores, with flexible alkyl chains at one end and a polar 4,6-diamino-1,3,5-triazine at the other end were synthesized. Col(hex)/p6mm mesophases were displayed by all bisthiophene based 4,6-diamino-1,3,5-triazine derivatives, whereas both Col(hex)/p6mm and Cub(1)/pm (3) over barn mesophases could be formed by corresponding triazole based 4,6-diamino-1,3,5-triazine derivatives. Evidence for the formation of the extra H-bonding between central triazole units and terminal 4,6-diaminotriazine groups which was responsible for the formation of cubic phases in triazole based compounds was obtained based on FT-IR measurements. Additionally, these triblock polyphiles can form organogels with interesting morphologies in different solvents. The influence of the alkyl chain length and the polarities of the heterocycles (bisthiophene/triazole) on the self-assembly of these compounds was systematically studied. Finally, these triblock polyphiles showed dual selectivities towards Pb2+ and Fe3+ ions. (C) 2019 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2019.05.038

文献信息

• Postfunctionalization of BN-Embedded Polycyclic Aromatic Compounds for Fine-Tuning of Their Molecular Properties
  作者：Xiao-Ye Wang、Dong-Chu Yang、Fang-Dong Zhuang、Jia-Jie Liu、Jie-Yu Wang、Jian Pei

  DOI：10.1002/chem.201501161

  日期：2015.6.8

  New BN‐embedded, thiophene‐fused, polycyclic aromatic compounds with planar geometry were designed and synthesized. The molecules showed excellent stability and chemical robustness. Postfunctionalization on this skeleton was demonstrated with a series of electrophilic bromination, palladium‐catalyzed cross‐coupling, and Knoevenagel condensation reactions. The π skeleton remained intact during these

  设计并合成了具有平面几何形状的新型BN嵌入，噻吩稠合的多环芳族化合物。分子显示出极好的稳定性和化学稳定性。一系列亲电溴化反应，钯催化的交叉偶联和Knoevenagel缩合反应证明了该骨架上的后功能化。在这些后期转换中，π骨架保持完整。通过在主链上引入富电子和不足的基团，可以很好地调节光学和电子性质。这项工作显示了在含BN的多环芳族化合物上进行后官能化策略的巨大优势，可实现快速多样化和材料筛选。
• Concise Approach to T‐Shaped NBN‐Phenalene Cored Luminogens as Intensive Blue Light Emitters
  作者：Xiaofeng Wang、Zuobang Sun、Kuangyu Ding、Peirong Qiang、Wenqing Zhu、Sheng Han、Fan Zhang

  DOI：10.1002/chem.202002649

  日期：2020.11.2

  Small organic molecules with finely tunable physical properties are highly desired for the fabrication of low‐cost and high‐performance organic electronic devices. In this work, the syntheses of a series of T‐shaped NBN‐embedded dibenzophenalene derivatives through the formation of a key brominated intermediate in a stoichiometrically controlled reaction are presented. The geometric and electronic

  具有精细可调的物理特性的有机小分子对于制造低成本和高性能的有机电子设备是非常需要的。在这项工作中，通过化学计量控制的反应，通过形成关键的溴化中间体，合成了一系列T形NBN嵌入的二苯并萘衍生物。通过沿垂直于分子主链的方向连接取代基，可以简单地定制这些T形分子的几何和电子结构，从而获得理想的物理性能，例如高热稳定性，分解温度超过350°C，以及强烈的蓝色发光，量子产率高达0.62。
• 1, 3-benzothiazinone derivatives and use thereof
  申请人：Kajino Masahiro

  公开号：US20050032786A1

  公开（公告）日：2005-02-10

  This invention provides a compound represented by the formula (I): wherein R 1 is a hydrogen atom, a halogen atom, hydroxy, nitro, optionally halogenated alkyl, alkoxy optionally having substituents, acyl or amino optionally having substituents; R 2 is pyridyl, furyl, thienyl, pyrrolyl, quinolyl, pyrazinyl, pyrimidinyl, pyridazinyl, indolyl, tetrahydroquinolyl or thiazolyl, each of which may have substituents; n is 1 or 2; or a salt. And this invention provides a safe pharmaceutical comprising the compound of the formula (I), which has an excellent apoptosis inhibitory effect and MIF binding effect, for preventing and/or treating heart disease, nervous degenerative disease, cerebrovascular disease, central nervous infectious disease, traumatorathy, demyelinating disease, bone and articular disease, kidney disease, liver disease, osteomyelodysplasia, AIDS, cancer, and the like.

  该发明提供了一个由式(I)表示的化合物：其中R1是氢原子、卤素原子、羟基、硝基、可选取代卤代烷基、可选取代基的烷氧基、酰基或氨基；R2是吡啶基、呋喃基、噻吩基、吡咯基、喹啉基、吡嗪基、嘧啶基、吡嗪啉基、吲哚基、四氢喹啉基或噻唑基，每个基团都可以有取代基；n为1或2；或其盐。该发明提供了一种安全的药物，包括式(I)化合物，具有出色的抑制细胞凋亡和结合MIF的效果，用于预防和/或治疗心脏病、神经退行性疾病、脑血管疾病、中枢神经感染性疾病、创伤性疾病、脱髓鞘疾病、骨骼和关节疾病、肾脏疾病、肝脏疾病、骨髓发育不良、艾滋病、癌症等疾病。
• 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF
  申请人：Kajino Masahiro

  公开号：US20090082343A1

  公开（公告）日：2009-03-26

  This invention provides a compound represented by the formula (I): wherein R 1 is a hydrogen atom, a halogen atom, hydroxy, nitro, optionally halogenated alkyl, alkoxy optionally having substituents, acyl or amino optionally having substituents; R 2 is pyridyl, furyl, thienyl, pyrrolyl, quinolyl, pyrazinyl, pyrimidinyl, pyridazinyl, indolyl, tetrahydroquinolyl or thiazolyl, each of which may have substituents; n is 1 or 2; or a salt. And this invention provides a safe pharmaceutical comprising the compound of the formula (I), which has an excellent apoptosis inhibitory effect and MIF binding effect, for preventing and/or treating heart disease, nervous degenerative disease, cerebrovascular disease, central nervous infectious disease, traumatorathy, demyelinating disease, bone and articular disease, kidney disease, liver disease, osteomyelodysplasia, AIDS, cancer, and the like.

  这项发明提供了一个由公式（I）表示的化合物：其中，R1是氢原子，卤素原子，羟基，硝基，可选择卤代烷基，烷氧基可选择具有取代基，酰基或氨基可选择具有取代基；R2是吡啶基，呋喃基，噻吩基，吡咯基，喹啉基，吡嗪基，嘧啶基，吡嗪啉基，吲哚基，四氢喹啉基或噻唑基，每种基团都可以有取代基；n为1或2；或其盐。此外，这项发明提供了一种安全的药物，其中包括公式（I）的化合物，该药物具有出色的凋亡抑制效果和MIF结合效果，用于预防和/或治疗心脏病，神经退行性疾病，脑血管疾病，中枢神经系统感染性疾病，创伤后疾病，脱髓鞘疾病，骨骼和关节疾病，肾脏疾病，肝脏疾病，骨髓发育不良，艾滋病，癌症等。
• Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors
  申请人：Amberg Wilhelm

  公开号：US20100184787A1

  公开（公告）日：2010-07-22

  The invention relates to the hetaryl-substituted guanidine compounds of general formula (I), enantiomeres, diastereomeres and/or tautomeres thereof, in addition to the pharmaceutically acceptable salts thereof and the prodrugs of the known compounds. The invention also relates to the use of said hetaryl-substituted guanidine compounds as binding partners for 5-HT5-receptors for treating and/or for the prophylaxis of illnesses which are modulated by a 5-HT5-receptor activity, in particular, for treating and/or for the prophylaxis of neurodegenerative and neuropsychiatric disorders, and signs, symptoms and dysfunctions associated with said disorders.

  本发明涉及通式（I）的杂环取代的胍化合物、其对映体、二对映异构体和/或互变异构体，以及其药学上可接受的盐和已知化合物的前药。本发明还涉及将所述杂环取代的胍化合物用作5-HT5受体的结合伙伴，用于治疗和/或预防由5-HT5受体活性调节的疾病，特别是用于治疗和/或预防神经退行性和神经精神障碍，以及与该类障碍相关的症状和功能障碍。