1,3-bis(phenothiazin-10-yl)propane | 222167-85-3

• 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: 1,3-bis(phenothiazin-10-yl)propane
• 英文别名: 10-(3-Phenothiazin-10-ylpropyl)phenothiazine
• CAS: 222167-85-3
• 化学式: C₂₇H₂₂N₂S₂
• 分子量: 438.617
• InChiKey: XLLWOSLGCRPBEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  621.9±45.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  吩噻嗪 、 1,3-二溴丙烷 在 N-甲基吡咯烷酮 、 氢氧化钾 作用下， 反应 10.0h， 以63%的产率得到1,3-bis(phenothiazin-10-yl)propane
  参考文献：
  名称：

  Vitrigens. I. Synthesis and Characterization of Low Molecular Weight Organic Glasses

  摘要：

  New low molecular weight organic materials with a strong tendency towards glass formation and glass temperatures above room temperature were synthesized. These materials consist of twin molecules where two bulky groups, i.e. carbazole (Ca), 3,6-dibromocarbazole (DBrCa), 2,3-benzocarbazole (BC), 1,2-benzo-3,4-dihydrocarbazole (BCDH), phenothiazine (Ph), 1,8-naphthalic acid anhydride (NI), and pyrene-l-aldehyde (PY) have been linked by flexible or semiflexible aliphatic or aromatic central units. Their structure-glass temperature relationship and some relations between thermodynamic parameters and amorphous properties are discussed.

  DOI：

  10.1002/(sici)1521-3897(199902)341:2<128::aid-prac128>3.0.co;2-m

文献信息

• Vitrigens. I. Synthesis and Characterization of Low Molecular Weight Organic Glasses
  作者：D. Braun、R. Langendorf

  DOI：10.1002/(sici)1521-3897(199902)341:2<128::aid-prac128>3.0.co;2-m

  日期：1999.2

  New low molecular weight organic materials with a strong tendency towards glass formation and glass temperatures above room temperature were synthesized. These materials consist of twin molecules where two bulky groups, i.e. carbazole (Ca), 3,6-dibromocarbazole (DBrCa), 2,3-benzocarbazole (BC), 1,2-benzo-3,4-dihydrocarbazole (BCDH), phenothiazine (Ph), 1,8-naphthalic acid anhydride (NI), and pyrene-l-aldehyde (PY) have been linked by flexible or semiflexible aliphatic or aromatic central units. Their structure-glass temperature relationship and some relations between thermodynamic parameters and amorphous properties are discussed.