11-Heptadecan-9-yl-7,15-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene | 1373816-35-3

• 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: 11-Heptadecan-9-yl-7,15-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
• 英文别名: 11-heptadecan-9-yl-7,15-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
• CAS: 1373816-35-3
• 化学式: C₃₃H₄₃NS₂
• 分子量: 517.843
• InChiKey: SZDFMMXECPVKHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  11-Heptadecan-9-yl-7,15-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 反应 16.0h， 以82%的产率得到6,16-Dibromo-11-heptadecan-9-yl-7,15-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
  参考文献：
  名称：

  Donor–acceptor-Type Polymers Based on Dithieno[2,3-b;7,6-b]carbazole Unit for Photovoltaic Applications

  摘要：

  Dithieno[2,3-b;7,6-b]carbazole (TCZT), a type of heteropentacene with nitrogen and sulfur atoms, was synthesized with a focus on the unique reactivity of carbazole via double intramolecular Friedel-Crafts acylation. A donor-acceptor-type polymer (PTCZTBT) was also synthesized, and Its physicochemical properties are reported.

  DOI：

  10.1021/ol300709u
• 作为产物：
  描述：

  diethyl 2,2'-((9-(heptadecan-9-yl)-9H-carbazole-2,7-diyl)bis(sulfanediyl))diacetate 在 盐酸 、 aluminum (III) chloride 、 sodium tetrahydroborate 、 草酰氯 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 1,2-二氯乙烷 、 苯 为溶剂， 反应 29.0h， 生成 11-Heptadecan-9-yl-7,15-dithia-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
  参考文献：
  名称：

  Donor–acceptor-Type Polymers Based on Dithieno[2,3-b;7,6-b]carbazole Unit for Photovoltaic Applications

  摘要：

  Dithieno[2,3-b;7,6-b]carbazole (TCZT), a type of heteropentacene with nitrogen and sulfur atoms, was synthesized with a focus on the unique reactivity of carbazole via double intramolecular Friedel-Crafts acylation. A donor-acceptor-type polymer (PTCZTBT) was also synthesized, and Its physicochemical properties are reported.

  DOI：

  10.1021/ol300709u

文献信息

• Donor–acceptor-Type Polymers Based on Dithieno[2,3-<i>b</i>;7,6-<i>b</i>]carbazole Unit for Photovoltaic Applications
  作者：Atsushi Kimoto、Yusuke Tajima

  DOI：10.1021/ol300709u

  日期：2012.5.4

  Dithieno[2,3-b;7,6-b]carbazole (TCZT), a type of heteropentacene with nitrogen and sulfur atoms, was synthesized with a focus on the unique reactivity of carbazole via double intramolecular Friedel-Crafts acylation. A donor-acceptor-type polymer (PTCZTBT) was also synthesized, and Its physicochemical properties are reported.