3,6-diethynyl-9-propyl-9H-carbazole | 1391973-56-0

• 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-propyl-9H-carbazole
• 英文别名: 3,6-diethynyl-9-propylcarbazole
• CAS: 1391973-56-0
• 化学式: C₁₉H₁₅N
• 分子量: 257.335
• InChiKey: OKCUGACFKCUAMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3,6-diethynyl-9-propyl-9H-carbazole 在 tetrakis(actonitrile)copper(I) hexafluorophosphate 、 tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  卤素键联双三唑烷轮烷用于卤化物选择性阴离子的识别

  摘要：

  对无环卤素和氢键合的双三唑鎓咔唑受体的阴离子结合性质进行了系统的研究。发现与卤素键合的双碘三唑鎓咔唑受体的卤化物结合效能远远优于其与氢键合的双三唑鎓类似物。这导致了含有双碘三唑鎓咔唑轴组分的卤素键和氢键混合轮烷的主体的合成。通过在竞争性水性溶剂混合物中进行1 H NMR滴定实验确定的轮烷的阴离子识别特性表明，预组织的卤素键联锁主体腔具有卤化物选择性，对溴化物具有很强的结合亲和力。

  DOI：

  10.1002/chem.201405578
• 作为产物：
  描述：

  9-propyl-3,6-bis((trimethylsilyl)ethynyl)-9H-carbazole 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 5.0h， 以779.8 mg的产率得到3,6-diethynyl-9-propyl-9H-carbazole
  参考文献：
  名称：

  Calix[4]arene–carbazole-containing polymers: Synthesis and properties

  摘要：

  New highly fluorescent calix[4]arene-containing phenylene-alt-ethynylene-3,6- and 2,7-carbazolylene polymers (CALIX-PPE-CBZs) have been synthesized for the first time and their photophysical properties evaluated. Both polymers were obtained in good isolated yields (70-84%), having M-w ranging from 7660-26,700 g mol(-1). It was found that the diethynyl substitution (3,6- or 2,7-) pattern on the carbazole monomers markedly influences the degree of polymerization. The amorphous yellow polymers are freely soluble in several nonprotic organic solvents and have excellent film forming abilities. TG/DSC analysis evidences similar thermal behaviors for both polymers despite their quite different molecular weight distributions and main-chain connectivities (T-g, in the range 83-95 degrees C and decomposition onsets around 270 degrees C).The different conjugation lengths attained by the two polymers dictates much of their photophysical properties. Thus, whereas the fully conjugated CAUX-PPE-2,7-CBZ has its emission maximum at 430 nm (E-g = 2.84 eV; Phi(F) = 0.62, CHCl3), the 3,6-linked counterpart (CALIX-PPE-3,6-CBZ) fluoresces at 403 nm with a significant lower quantum yield (E-g = 3.06 eV; Phi(F) = 0.31, CHCl3). The optical properties of both polymers are predominantly governed by the intrachain electronic properties of the conjugated backbones owing to the presence of calix[4]arenes along the polymer chain which disfavor significant interchain interactions, either in fluid- or solid-state. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.reactfunctpolym.2012.06.006

文献信息

• Fluorescent Bis-Calix[4]arene-Carbazole Conjugates: Synthesis and Inclusion Complexation Studies with Fullerenes C60 and C70
  作者：Patrícia D. Barata、Alexandra I. Costa、Sérgio Costa、José V. Prata

  DOI：10.3390/molecules26165000

  日期：——

  the study of their inclusion in complexes in various application fields. With this in mind, two new fluorescent bis-calix[4]arene-carbazole conjugates (4 and 5) have been designed. Herein, their synthesis and ability to behave as specific hosts for fullerenes C60 and C70 is described. The optical properties of the novel compounds and their complexes with C60 and C70 were thoroughly studied by UV-Vis

  在过去的几十年中，超分子化学已成为化学和生物科学的中心主题。超分子结构越来越多地用于生物医学应用，特别是在需要特定刺激响应的设备中。富勒烯及其超分子组装体在生物医学科学和工程中获得了很高的知名度。需要敏感和选择性的方法来研究它们在各种应用领域中的配合物。考虑到这一点，我们设计了两种新的荧光双杯[4] 芳烃-咔唑偶联物（4和5）。在此，它们的合成和作为富勒烯 C 60和 C 70 的特定主体的能力被描述。新型化合物及其与 C 60和 C 70的配合物的光学性质通过紫外-可见光、稳态和时间分辨荧光光谱进行了深入研究。C 60和C 70由4和5络合的结合常数( K a )通过荧光技术确定。发现 C 70 @ 4超分子具有更高的稳定性（K a = 5.6 × 10 4 M -1 ; Δ G= -6.48 kcal/mol)。主体4和C 60 /C 70之间形成真正的包合物的证据是从低温下进行的核磁共振光谱获得的。在主客体组件（C