8,10,21,23-Tetramethyl-3,28-dipropyl-3,5,6,8,10,21,23,25,26,28-decazaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4,6,12,18,24,26-octaene-9,11,20,22-tetrone | 623926-02-3

• 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: 8,10,21,23-Tetramethyl-3,28-dipropyl-3,5,6,8,10,21,23,25,26,28-decazaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4,6,12,18,24,26-octaene-9,11,20,22-tetrone
• CAS: 623926-02-3
• 化学式: C₂₈H₃₀N₁₀O₄
• 分子量: 570.611
• InChiKey: SXVABECUEVKLFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  143
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  8,10,21,23-Tetramethyl-3,28-dipropyl-3,5,6,8,10,21,23,25,26,28-decazaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4,6,12,18,24,26-octaene-9,11,20,22-tetrone 在 manganese(IV) oxide 作用下， 以 苯 为溶剂， 反应 168.0h， 以98%的产率得到2,4,11,13-tetramethyl-7,8-dipropyl-7,8-dihydrobenzo[1",2":4,5;4",3":4',5']bis(pyrrolo[2,3-c]pyrimido[5,4-e]pyridazine)-1,3,12,14(2H,4H,11H,13H)-tetraone
  参考文献：
  名称：

  苯并二（吡咯并嘧啶并吡嗪）：二苯并[ a，o ]]烯的第一个π电子类似物的分子结构和性质

  摘要：

  讨论了仍然未知的二苯并[ a，o ] picene的第一个π电子类似物苯并双（吡咯并嘧啶并哒嗪）2的分子结构，芳香性和某些光谱性质。

  DOI：

  10.1002/jhet.5570450123
• 作为产物：
  描述：

  3-(propylamino)-6,8-dimethylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione 在 bis(pyridine)silver(I) permanganate 作用下， 反应 192.0h， 生成 8,10,21,23-Tetramethyl-3,28-dipropyl-3,5,6,8,10,21,23,25,26,28-decazaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4,6,12,18,24,26-octaene-9,11,20,22-tetrone
  参考文献：
  名称：

  6,8-Dimethylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione: new heterocyclizations based on SNH-methodology. Unexpected formation of the first iso-π-electronic analogue of the still unknown dibenzo[a,o]pycene

  摘要：

  N-(2)-Oxide and 3-amino derivatives of 6,8-dimethylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione have been shown to react with primary alkylamines in the presence of an oxidant to produce condensed imidazolines or imidazoles. Both conversions based on S-N(H)-strategy represent a new approach to imidazoline-(imidazole-)ring annulation. Heterocyclic analogues of the still unknown dibenzo[a,o]pycene were obtained as a by-products of the above transformations upon using of cyclohexylamine. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.08.002

文献信息

• 6,8-Dimethylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione: new heterocyclizations based on SNH-methodology. Unexpected formation of the first iso-π-electronic analogue of the still unknown dibenzo[a,o]pycene
  作者：Anna V Gulevskaya、Olga V Serduke、Alexander F Pozharskii、Denis V Besedin

  DOI：10.1016/j.tet.2003.08.002

  日期：2003.9

  N-(2)-Oxide and 3-amino derivatives of 6,8-dimethylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione have been shown to react with primary alkylamines in the presence of an oxidant to produce condensed imidazolines or imidazoles. Both conversions based on S-N(H)-strategy represent a new approach to imidazoline-(imidazole-)ring annulation. Heterocyclic analogues of the still unknown dibenzo[a,o]pycene were obtained as a by-products of the above transformations upon using of cyclohexylamine. (C) 2003 Elsevier Ltd. All rights reserved.
• Benzobis(pyrrolopyrimidopiridazines): Molecular structure and properties of the first π‐electronic analogues of dibenzo[<i>a</i>,<i>o</i>]picene
  作者：Olga V. Serdyuk、Anna V. Gulevskaya、Alexander F. Pozharskii、Vadim E. Avakyan

  DOI：10.1002/jhet.5570450123

  日期：2008.1

  Molecular structure, aromaticity and some spectral properties of benzobis(pyrrolopyrimidopiridazines) 2 that are the first π-electronic analogues of the still unknown dibenzo[a,o]picene are discussed.

  讨论了仍然未知的二苯并[ a，o ] picene的第一个π电子类似物苯并双（吡咯并嘧啶并哒嗪）2的分子结构，芳香性和某些光谱性质。