sodium (2-hexylthiophene-5-boronate)

• 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: sodium (2-hexylthiophene-5-boronate)
• 英文别名: sodium 2-hexylthiophene-5-borate；Sodium;(5-hexylthiophen-2-yl)-trihydroxyboranuide
• 化学式: C₁₀H₁₈BO₃S*Na
• 分子量: 252.118
• InChiKey: WTKDJZXTZSDMSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.0
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  88.9
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  sodium (2-hexylthiophene-5-boronate) 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 potassium hydroxide 作用下， 以 甲苯 、 正丁醇 为溶剂， 反应 24.0h， 生成 2,5-bis(5-hexyl-2-thienyl)terephthalic acid
  参考文献：
  名称：

  Organic Semiconductor Material

  摘要：

  一种二氢吲哚嗪化合物，其由以下式（1）表示：其中R1彼此相同或不同，各自表示氢原子、可被取代的烷基、可被取代的烯基、可被取代的炔基、可被取代的烷氧基、可被取代的烷硫基、可被取代的芳基、可被取代的芳氧基等；R2至R5彼此相同或不同，各自表示氢原子、可被取代的烷基、可被取代的烯基等；p为0、1或2；环结构A和B彼此相同或不同，各自表示可被取代的苯环、可被取代的噻吩环等。

  公开号：

  US20110087034A1
• 作为产物：
  描述：

  2-正己基噻吩 在 正丁基锂 、 sodium hydroxide 作用下， 生成 sodium (2-hexylthiophene-5-boronate)
  参考文献：
  名称：

  新型平面蝶形稠合低聚噻吩的合成与表征

  摘要：

  一个简单的氧化环化反应用于构建新的七环稠合蝴蝶形寡聚噻吩骨架：二苯并噻吩并[1,2- b：4,3- b '：6,7- b '' ：9,8- b ''' ]四噻吩。新材料显示出高稳定性和强固态荧光。X射线晶体学结果表明它们以2-D堆叠结构存在于它们的晶体中。

  DOI：

  10.1016/j.tet.2011.11.061

文献信息

• 티오펜 유도체 및 이를 함유하는 ＬＣ 매질
  申请人：MERCK PATENT GMBH 메르크 파텐트 게엠베하(519980656531)

  公开号：KR101592052B1

  公开（公告）日：2016-02-04

  본 발명은 티오펜 유도체; 이의 제조 방법 및 중간체 생성물; 광학, 전광 및 전자 용도, 특히 액정(LC) 매질 및 LC 디스플레이에서의 이의 용도; 및 상기 티오펜 유도체를 함유하는 LC 매질 및 LC 디스플레이에 관한 것이다.

  本发明涉及硫代苯导体；其制备方法和中间体生成物；光学、电光和电子用途，特别是在液晶（LC）介质和LC显示器中的应用；以及液晶介质和LC显示器中含有上述硫代苯导体的相关内容。
• ORGANIC SEMICONDUCTOR MATERIAL
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2248818B1

  公开（公告）日：2014-09-24
• New Oligothiophene-Pentacene Hybrids as Highly Stable and Soluble Organic Semiconductors
  作者：Jing Wang、Ke Liu、Yi-Yang Liu、Cheng-Li Song、Zi-Fa Shi、Jun-Biao Peng、Hao-Li Zhang、Xiao-Ping Cao

  DOI：10.1021/ol900838a

  日期：2009.6.18

  Two series of new oligothiophene-pentacene hybrid compounds were successfully synthesized and characterized, which consist of pentacene and anthradithiophene skeletons modified by different oligothienyl groups at 6,13 sites or 5,11 sites, respectively. Their optical, thermal, and electrochemical properties show regular variations with the length change of the side groups. These materials exhibit much higher solubility and significantly improved thermal and photooxidation stabilities compared with unmodified pentacene and anthradithiophene.
• Aryl Trihydroxyborates:  Easily Isolated Discrete Species Convenient for Direct Application in Coupling Reactions
  作者：Andrew N. Cammidge、Victoria H. M. Goddard、Hemant Gopee、Nicola L. Harrison、David L. Hughes、Christopher J. Schubert、Benjamin M. Sutton、Gary L. Watts、Andrew J. Whitehead

  DOI：10.1021/ol061564w

  日期：2006.8.1

  A conceptually and practically simple alternative approach to the use of arylboron species as the organometallic component in cross-coupling processes is described whereby trihydroxyborate salts are isolated and directly employed. The protocol derives practical benefit from the ease and convenience of the isolation and subsequent use of the discrete borate salts, eliminates the need for additional base, and aids the use of correct reaction stoichiometry.
• Synthesis and Characterization of Planar Five-Ring-Fused Dithiophene-dione
  作者：Jing Wang、Weijing Zeng、Huan Xu、Bin Li、Xiaoping Cao、Haoli Zhang

  DOI：10.1002/cjoc.201100141

  日期：2012.3

  AbstractA series of new organic semiconductors based on s‐indaceno[1,2‐b:5,6‐b′]dithiophene‐4,9‐dione was successfully synthesized and characterized. The electron withdrawing carbonyl group lowers the LUMO energy levels, leading to increased electronegativities, which is beneficial for high photo‐stability in air. The n‐alkyl substituted compounds, 1c and 1d, crystallize with the rigid coplanar systems packed into slipped face‐to‐face π‐stacks. Interestingly, 1c and 1d also show liquid crystalline behaviors, which give highly ordered molecular packing over large area.