(2,3-cholestano)-1,4-dithiaanthraquinone | 195517-42-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (2,3-cholestano)-1,4-dithiaanthraquinone
• 英文别名: (3S,4S,7R,8R,11S,12R,15S)-3,7-dimethyl-8-[(2R)-6-methylheptan-2-yl]-18,29-dithiaheptacyclo[15.12.0.03,15.04,12.07,11.019,28.021,26]nonacosa-1(17),19(28),21,23,25-pentaene-20,27-dione
• CAS: 195517-42-1
• 化学式: C₃₇H₄₈O₂S₂
• 分子量: 588.919
• InChiKey: GURKBSDVTVXGME-JNCRVDOUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  41
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二(三甲基硅基)碳酰二亚胺 、 (2,3-cholestano)-1,4-dithiaanthraquinone 在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 1.25h， 以71%的产率得到(2,3-cholestano)dicyano-1,4-dithiaanthraquinonediimine
  参考文献：
  名称：

  Cholestano-Fused Electron Donors and Acceptors

  摘要：

  The synthesis of the cholestano-fused tetrathiafulvalene (TTF) 3 and cyanoethyl-protected cholestano TTF 4 is described. Compound 4 was deprotected under basic conditions and then treated with 2-bromoethanol or 1,2-dibromoethane to give the corresponding cholestano (hydroxyethyl)thio TTF 18 and the cholestano ethylenedithio TTF 19, respectively. The synthesis of the electron accepters, cholestanonaphthoquinone 20 and the corresponding dicyanonaphthoquinodiimine 5 is likewise reported.

  DOI：

  10.1021/jo970777j
• 作为产物：
  描述：

  2α-bromo-5α-cholestan-3-one 在 cesium hydroxide 、 三氟乙酸 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 6.5h， 生成 (2,3-cholestano)-1,4-dithiaanthraquinone
  参考文献：
  名称：

  Cholestano-Fused Electron Donors and Acceptors

  摘要：

  The synthesis of the cholestano-fused tetrathiafulvalene (TTF) 3 and cyanoethyl-protected cholestano TTF 4 is described. Compound 4 was deprotected under basic conditions and then treated with 2-bromoethanol or 1,2-dibromoethane to give the corresponding cholestano (hydroxyethyl)thio TTF 18 and the cholestano ethylenedithio TTF 19, respectively. The synthesis of the electron accepters, cholestanonaphthoquinone 20 and the corresponding dicyanonaphthoquinodiimine 5 is likewise reported.

  DOI：

  10.1021/jo970777j

文献信息

• Cholestano-Fused Electron Donors and Acceptors
  作者：Michael P. Cava、Jesper Lau、Klaus B. Simonsen、Jan Becher

  DOI：10.1021/jo970777j

  日期：1997.10.1

  The synthesis of the cholestano-fused tetrathiafulvalene (TTF) 3 and cyanoethyl-protected cholestano TTF 4 is described. Compound 4 was deprotected under basic conditions and then treated with 2-bromoethanol or 1,2-dibromoethane to give the corresponding cholestano (hydroxyethyl)thio TTF 18 and the cholestano ethylenedithio TTF 19, respectively. The synthesis of the electron accepters, cholestanonaphthoquinone 20 and the corresponding dicyanonaphthoquinodiimine 5 is likewise reported.