9,12,21,24-tetramethyl-9,12,21,24-tetrahydro[1,2,7,8]tetrathiacyclododecino[3,4-b:6,5-b':9,10-b'':12,11-b''']tetraindole

• 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: 9,12,21,24-tetramethyl-9,12,21,24-tetrahydro[1,2,7,8]tetrathiacyclododecino[3,4-b:6,5-b':9,10-b'':12,11-b''']tetraindole
• 英文别名: 9,14,29,34-Tetramethyl-11,12,31,32-tetrathia-9,14,29,34-tetrazanonacyclo[31.7.0.02,10.03,8.013,21.015,20.022,30.023,28.035,40]tetraconta-1(33),2(10),3,5,7,13(21),15,17,19,22(30),23,25,27,35,37,39-hexadecaene
• 化学式: C₃₆H₂₈N₄S₄
• 分子量: 644.909
• InChiKey: RFZJPKCKUQLCDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  44
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-甲基-1,3-二氢吲哚-2-硫酮 在 氢氧化钾 、 氧气 、 sodium hydride 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 9,12,21,24-tetramethyl-9,12,21,24-tetrahydro[1,2,7,8]tetrathiacyclododecino[3,4-b:6,5-b':9,10-b'':12,11-b''']tetraindole
  参考文献：
  名称：

  Thioxo-analoga isoindigoider verbindungen?

  摘要：

  Thioxo-isoindigoide compounds E are accessible only in special cases, depending on the resonance situation in the heterocyclic unit, whereas the thioxo-indigoide species A are at all unknown. Thus the oxidation of the corresponding leuko-isoindigoide precursors affords either 3 as a representative of E by predominance of thioamide conjugation, or the unusual 12-membered cyclic bis-disulfides 4 and 10, respectively, according to type H by predominance of hetarene stabilization.

  DOI：

  10.1016/s0040-4039(00)73026-7

文献信息

• Thioxo-analoga isoindigoider verbindungen?
  作者：Werner Schroth、Michael Felicetti、Ekkehard Hintzsche、Roland Spitzner、Maren Pink

  DOI：10.1016/s0040-4039(00)73026-7

  日期：1994.3

  Thioxo-isoindigoide compounds E are accessible only in special cases, depending on the resonance situation in the heterocyclic unit, whereas the thioxo-indigoide species A are at all unknown. Thus the oxidation of the corresponding leuko-isoindigoide precursors affords either 3 as a representative of E by predominance of thioamide conjugation, or the unusual 12-membered cyclic bis-disulfides 4 and 10, respectively, according to type H by predominance of hetarene stabilization.
• Schroth, Werner; Spitzner, Roland; Felicetti, Michael, European Journal of Organic Chemistry, 2000, # 17, p. 3093 - 3102
  作者：Schroth, Werner、Spitzner, Roland、Felicetti, Michael、Wagner, Christoph、Bruhn, Clemens

  DOI：——

  日期：——