2,7-bis(11'-iodo-3',6',9'-trioxaundecyloxycarbonylmethyl)-N-methylphenothiazine | 155130-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2,7-bis(11'-iodo-3',6',9'-trioxaundecyloxycarbonylmethyl)-N-methylphenothiazine
• 英文别名: 2-[2-[2-(2-Iodoethoxy)ethoxy]ethoxy]ethyl 2-[7-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-oxoethyl]-10-methylphenothiazin-2-yl]acetate；2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethyl 2-[7-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-oxoethyl]-10-methylphenothiazin-2-yl]acetate
• CAS: 155130-04-4
• 化学式: C₃₃H₄₅I₂NO₁₀S
• 分子量: 901.596
• InChiKey: SZUVBPAPVWXPJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  47
• 可旋转键数：
  28
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2,7-bis(11'-iodo-3',6',9'-trioxaundecyloxycarbonylmethyl)-N-methylphenothiazine 在 sodium perchlorate 作用下， 以 硝基甲烷 、 水 为溶剂， 反应 96.0h， 生成
  参考文献：
  名称：

  Phenothiazine−Bipyridinium Cyclophanes

  摘要：

  The syntheses of oligooxa[8,8]-, -[11,11]-, -[14,14]-, -[17,17]- and -[20,20]cyclophanes with phenothiazine as donor and bipyridinium. dication as acceptor are described, together with preparations of the corresponding oligomethylene-[3,3]- and -[4.4]cyclophanes. While the large [8,8]-, [11,11]- and [14,14]cyclophanes in particular show well-defined charge-transfer (CT) absorption maxima, the smallest [3,3]cyclophane does not exhibit any CT effect. For the large cyclophanes, a preferred conformation with crossed donor and acceptor units is proposed. The fluorescence quenching and electrochemical behaviour of all phenothiazine-bipyridinium cyclophanes is discussed.

  DOI：

  10.1002/1099-0690(200109)2001:17<3255::aid-ejoc3255>3.0.co;2-0
• 作为产物：
  描述：

  2-(2-methyl-1,3-dioxolan-2-yl)-10H-phenothiazine 在 吗啉 、 氢氧化钾 、 三氯化铝 、 1,1'-carbonylbis(3-methylimidazolium) triflate 作用下， 以 二硫化碳 为溶剂， 生成 2,7-bis(11'-iodo-3',6',9'-trioxaundecyloxycarbonylmethyl)-N-methylphenothiazine
  参考文献：
  名称：

  Petry, Christoph; Lang, Martina; Staab, Heinz A., Angewandte Chemie, 1993, vol. 105, # 12, p. 1791 - 1795

  摘要：

  DOI：

文献信息

• Petry, Christoph; Lang, Martina; Staab, Heinz A., Angewandte Chemie, 1993, vol. 105, # 12, p. 1791 - 1795
  作者：Petry, Christoph、Lang, Martina、Staab, Heinz A.、Bauer, Helmut

  DOI：——

  日期：——
• Phenothiazine−Bipyridinium Cyclophanes
  作者：Helmut Bauer、Falk Stier、Christoph Petry、Andreas Knorr、Christian Stadler、Heinz A. Staab

  DOI：10.1002/1099-0690(200109)2001:17<3255::aid-ejoc3255>3.0.co;2-0

  日期：2001.9

  The syntheses of oligooxa[8,8]-, -[11,11]-, -[14,14]-, -[17,17]- and -[20,20]cyclophanes with phenothiazine as donor and bipyridinium. dication as acceptor are described, together with preparations of the corresponding oligomethylene-[3,3]- and -[4.4]cyclophanes. While the large [8,8]-, [11,11]- and [14,14]cyclophanes in particular show well-defined charge-transfer (CT) absorption maxima, the smallest [3,3]cyclophane does not exhibit any CT effect. For the large cyclophanes, a preferred conformation with crossed donor and acceptor units is proposed. The fluorescence quenching and electrochemical behaviour of all phenothiazine-bipyridinium cyclophanes is discussed.