2,7-bis(14'-iodo-3',6',9',12'-tetraoxatetradecyloxycarbonylmethyl)-N-methylphenothiazine | 155130-05-5

• 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(14'-iodo-3',6',9',12'-tetraoxatetradecyloxycarbonylmethyl)-N-methylphenothiazine
• 英文别名: 2-[2-[2-[2-(2-Iodoethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-[7-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]-10-methylphenothiazin-2-yl]acetate；2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-[7-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-oxoethyl]-10-methylphenothiazin-2-yl]acetate
• CAS: 155130-05-5
• 化学式: C₃₇H₅₃I₂NO₁₂S
• 分子量: 989.702
• InChiKey: HCLHONWHEBFUAR-UHFFFAOYSA-N

物化性质

• 沸点：
  850.1±65.0 °C(predicted)
• 密度：
  1.481±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  53
• 可旋转键数：
  34
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  155
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2,7-bis(14'-iodo-3',6',9',12'-tetraoxatetradecyloxycarbonylmethyl)-N-methylphenothiazine 在 氟硼酸钠 作用下， 以 硝基甲烷 、 水 为溶剂， 反应 144.0h， 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 、 盐酸 、 正丁基锂 、 三氯化铝 、 sulfur 、 N,N'-羰基二咪唑 、 三氟甲烷磺酸甲酯 、 sodium iodide 作用下， 以 四氢呋喃 、 二硫化碳 、 硝基甲烷 、 正己烷 、 丙酮 为溶剂， 反应 52.0h， 生成 2,7-bis(14'-iodo-3',6',9',12'-tetraoxatetradecyloxycarbonylmethyl)-N-methylphenothiazine
  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

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.