3,6-diethynyl-9-hexadecylcarbazole | 912941-78-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3,6-diethynyl-9-hexadecylcarbazole
• CAS: 912941-78-7
• 化学式: C₃₂H₄₁N
• 分子量: 439.684
• InChiKey: WEOOPYYSXXNFLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  33
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3,6-diethynyl-9-hexadecylcarbazole 在 吡啶 、 copper(l) chloride 、 copper dichloride 作用下， 反应 72.0h， 以6%的产率得到44,46,49-Trihexadecyl-44,46,49-triazadecacyclo[37.3.1.12,6.13,42.111,15.114,17.116,20.125,29.128,31.130,34]henpentaconta-1(42),2,4,6(51),11(50),12,14,16,18,20(48),25(47),26,28,30,32,34(45),39(43),40-octadecaen-7,9,21,23,35,37-hexayne
  参考文献：
  名称：

  Novel Diethynylcarbazole Macrocycles:  Synthesis and Optoelectronic Properties

  摘要：

  Diethynylcarbazole macrocycles 1b and 2b have been synthesized by oxidative coupling of appropriate precursors. In particular, macrocycle 2b was prepared by bimolecular Pd-catalyzed oxidative coupling in 35% isolated yield. The spectroscopic properties of these macrocycles and their precursors were measured in detail. The films of these macrocycles by the dipping method and the Langmuir-Blodgett technique were fabricated to study their photoinduced charge-transfer properties. A rapid and steady cathodic photocurrent of these films was produced in a three-electrode cell when irradiated with white light. A possible mechanism of the photoinduced electron-transfer pathway was suggested.

  DOI：

  10.1021/jo0611869
• 作为产物：
  描述：

  溴代十六烷 在 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 N-碘代丁二酰亚胺 、 copper(l) iodide 、 sodium hydride 、 溶剂黄146 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 氯仿 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 3,6-diethynyl-9-hexadecylcarbazole
  参考文献：
  名称：

  高活性多齿炔烃复分解催化剂：配体-活性关系及其在卟啉基亚芳基乙炔聚合物高效合成中的应用

  摘要：

  合成了一系列的三（芳甲基）铵配位的钼（VI）丙炔催化剂。与它们相应的基于三（芳基甲基）胺的类似物相比，这种N-季铵化的多齿催化剂显示出高的鲁棒性，对小炔烃聚合的强耐受性和显着增强的催化活性。这些新型催化剂的高活性还使得能够通过炔烃复分解反应有效合成乙炔桥连的卟啉基亚芳基乙炔聚合物，这是一种高效，无缺陷，可行的合成此类引人入胜的聚合物的方法。

  DOI：

  10.1002/adsc.201200243

文献信息

• Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis
  申请人：THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE

  公开号：US20130261295A1

  公开（公告）日：2013-10-03

  The invention relates to highly active and selective catalysts for alkyne metathesis. In one aspect, the invention includes a multidentate organic ligand wherein one substrate-binding site of the metal center is blocked. In another aspect, the invention includes N-quaternized or silane-based multidentate organic ligands, capable of binding to metals. In yet another aspect, the invention includes N-quaternized or silane-based multidentate catalysts. The catalysts of the invention show high robustness, strong resistance to small alkyne polymerization and significantly enhanced catalytic activity compared to their corresponding non-quaternized or non-silane-based multidentate catalyst analogues.

  该发明涉及用于炔烃交换反应的高活性和选择性催化剂。在一个方面，该发明包括一种多齿有机配体，其中金属中心的一个底物结合位点被阻塞。在另一个方面，该发明包括N-季铵化或硅基多齿有机配体，能够与金属结合。在另一个方面，该发明包括N-季铵化或硅基多齿催化剂。该发明的催化剂表现出高稳定性，对小炔烃聚合具有很强的抵抗力，并且与其对应的非季铵化或非硅基多齿催化剂类似物相比，具有显着增强的催化活性。
• Introducing A Podand Motif to Alkyne Metathesis Catalyst Design: A Highly Active Multidentate Molybdenum(VI) Catalyst that Resists Alkyne Polymerization
  作者：Kuthanapillil Jyothish、Wei Zhang

  DOI：10.1002/anie.201007559

  日期：2011.4.4

  Podand prevents polymers: The molybdenum(VI) propylidyne catalyst 1 with a podand triphenolamine ligand shows high activity in the metathesis of a variety of alkyne substrates, including heterocycles that contain donor moieties. With one substrate‐binding site blocked by the multidentate ligand, the undesired polymerization of small alkynes that occurs with non‐podand‐ligand complex 2 is completely

  Podand防止聚合物：具有podand三酚胺配体的钼（VI）丙炔催化剂1在多种炔烃底物的复分解反应中显示出高活性，包括含有供体部分的杂环。由于一个底物结合位点被多齿配体封闭，完全抑制了与非配体-配体配合物2发生的小炔烃的不希望有的聚合。
• HIGHLY ACTIVE MULTIDENTATE CATALYSTS FOR EFFICIENT ALKYNE METATHESIS
  申请人：THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE

  公开号：US20150273457A1

  公开（公告）日：2015-10-01

  The invention relates to highly active and selective catalysts for alkyne metathesis. In one aspect, the invention includes a multidentate organic ligand wherein one substrate-binding site of the metal center is blocked. In another aspect, the invention includes N-quaternized or silane-based multidentate organic ligands, capable of binding to metals. In yet another aspect, the invention includes N-quaternized or silane-based multidentate catalysts. The catalysts of the invention show high robustness, strong resistance to small alkyne polymerization and significantly enhanced catalytic activity compared to their corresponding non-quaternized or non-silane-based multidentate catalyst analogues.

  本发明涉及高活性和选择性的炔烃交换催化剂。在一个方面，本发明包括一种多齿有机配体，其中金属中心的一个底物结合位点被阻塞。在另一个方面，本发明包括N-季铵化或硅烷基多齿有机配体，能够结合金属。在另一个方面，本发明包括N-季铵化或硅烷基多齿催化剂。本发明的催化剂表现出高稳健性，对小炔烃聚合具有强抗性，并且与其相应的非季铵化或非硅烷基多齿催化剂类似物相比，具有显著增强的催化活性。
• US8993804B2
  申请人：——

  公开号：US8993804B2

  公开（公告）日：2015-03-31