5-Bromo-18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene | 1266680-29-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 5-Bromo-18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene
• 英文别名: 5-bromo-18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene
• CAS: 1266680-29-8
• 化学式: C₂₄H₁₃BrS
• 分子量: 413.337
• InChiKey: NSGRPUVQDDXGEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-Bromo-18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene 、 二苯基氯化膦 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到benzo[b]benzo[5,6]phenanthro[4,3-d]thiophen-13-yldiphenylphosphane
  参考文献：
  名称：

  Synthesis and characterisation of a new helically chiral ruthenium complex

  摘要：

  A new helically chiral hexacyclic phosphine, containing one thiophene ring was prepared in good yield via a five-step sequence involving a palladium-catalysed Mizoroki-Heck coupling reaction and classical oxidative photocyclisation. A mononuclear air stable ruthenium complex of this phosphine was also prepared and characterised. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.104
• 作为产物：
  描述：

  2-vinylbenzo[b]thiophene 在 trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) 、 碘 、 sodium acetate 、 methyloxirane 作用下， 以 N,N-二甲基乙酰胺 、 甲苯 为溶剂， 反应 100.0h， 生成 5-Bromo-18-thiahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene
  参考文献：
  名称：

  Synthesis and characterisation of a new helically chiral ruthenium complex

  摘要：

  A new helically chiral hexacyclic phosphine, containing one thiophene ring was prepared in good yield via a five-step sequence involving a palladium-catalysed Mizoroki-Heck coupling reaction and classical oxidative photocyclisation. A mononuclear air stable ruthenium complex of this phosphine was also prepared and characterised. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.104

文献信息

• Synthesis, X-Ray Analysis, and Evaluation of the Optoelectronic Properties of a New Thia[6]helicene
  作者：Souad Moussa、Faouzi Aloui、Pascal Retailleau、Béchir Ben Hassine

  DOI：10.1080/00397911.2010.534572

  日期：2012.4.1

  Abstract The synthesis and structural characterization of a new hexahelicene derivative is reported. This compound features a new type of structure bearing a bromine atom. Suitable crystals of the latter indicate that its conformation closely resembles that of the unsubstituted [6]helicene, whose idealized symmetry is C2. The optoelectronic properties of this helical hexacyclic system were determined

  摘要 报道了一种新的六螺旋烯衍生物的合成和结构表征。这种化合物具有一种带有溴原子的新型结构。后者的合适晶体表明其构象与未取代的[6]螺旋的构象非常相似，其理想化的对称性为C2。确定了这种螺旋六环系统的光电特性并表现出非常有趣的行为。图形概要
• Synthesis and characterisation of a new helically chiral ruthenium complex
  作者：Faouzi Aloui、Souad Moussa、Béchir Ben Hassine

  DOI：10.1016/j.tetlet.2010.11.104

  日期：2011.2

  A new helically chiral hexacyclic phosphine, containing one thiophene ring was prepared in good yield via a five-step sequence involving a palladium-catalysed Mizoroki-Heck coupling reaction and classical oxidative photocyclisation. A mononuclear air stable ruthenium complex of this phosphine was also prepared and characterised. (C) 2010 Elsevier Ltd. All rights reserved.