4,12,20,28-Tetratert-butyl-34-thia-8,16,24-triazanonacyclo[29.2.1.16,9.123,26.02,7.010,15.014,18.017,22.025,30]hexatriaconta-1(33),2(7),3,5,9(36),10,12,14,17,19,21,23(35),25(30),26,28,31-hexadecaene | 1371499-46-5

• 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: 4,12,20,28-Tetratert-butyl-34-thia-8,16,24-triazanonacyclo[29.2.1.16,9.123,26.02,7.010,15.014,18.017,22.025,30]hexatriaconta-1(33),2(7),3,5,9(36),10,12,14,17,19,21,23(35),25(30),26,28,31-hexadecaene
• 英文别名: 4,12,20,28-tetratert-butyl-34-thia-8,16,24-triazanonacyclo[29.2.1.16,9.123,26.02,7.010,15.014,18.017,22.025,30]hexatriaconta-1(33),2(7),3,5,9(36),10,12,14,17,19,21,23(35),25(30),26,28,31-hexadecaene
• CAS: 1371499-46-5
• 化学式: C₄₈H₅₁N₃S
• 分子量: 702.019
• InChiKey: WTMJRYRQLCFMHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  52
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  75.6
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,12,20,28-Tetratert-butyl-34-thia-8,16,24-triazanonacyclo[29.2.1.16,9.123,26.02,7.010,15.014,18.017,22.025,30]hexatriaconta-1(33),2(7),3,5,9(36),10,12,14,17,19,21,23(35),25(30),26,28,31-hexadecaene 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以2.4 mg的产率得到4,12,20,28-Tetratert-butyl-34-thia-8,16,24-triazanonacyclo[29.2.1.16,9.123,26.02,7.010,15.014,18.017,22.025,30]hexatriaconta-1(33),2(7),3,5,8,10,12,14,17,19,21,23,25(30),26,28,31-hexadecaene-35,36-dione
  参考文献：
  名称：

  Synthesis and Characterization of Novel Fused Porphyrinoids Based on Cyclic Carbazole[2]indolones

  摘要：

  The carbazole- and indolone-based porphyrinoids 3 and 4 were synthesized by stepwise transition-metal-catalyzed coupling reactions. Palladium metalation of 4 produced 4Pd, which exhibits near-infrared absorption.

  DOI：

  10.1021/ol300585v
• 作为产物：
  描述：

  4-tert-butyl-2,6-diiodoaniline 在 indium(III) chloride 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 87.0h， 生成 4,12,20,28-Tetratert-butyl-34-thia-8,16,24-triazanonacyclo[29.2.1.16,9.123,26.02,7.010,15.014,18.017,22.025,30]hexatriaconta-1(33),2(7),3,5,9(36),10,12,14,17,19,21,23(35),25(30),26,28,31-hexadecaene
  参考文献：
  名称：

  Synthesis and Characterization of Novel Fused Porphyrinoids Based on Cyclic Carbazole[2]indolones

  摘要：

  The carbazole- and indolone-based porphyrinoids 3 and 4 were synthesized by stepwise transition-metal-catalyzed coupling reactions. Palladium metalation of 4 produced 4Pd, which exhibits near-infrared absorption.

  DOI：

  10.1021/ol300585v

文献信息

• Synthesis and Characterization of Novel Fused Porphyrinoids Based on Cyclic Carbazole[2]indolones
  作者：Chihiro Maeda、Naoki Yoshioka

  DOI：10.1021/ol300585v

  日期：2012.4.20

  The carbazole- and indolone-based porphyrinoids 3 and 4 were synthesized by stepwise transition-metal-catalyzed coupling reactions. Palladium metalation of 4 produced 4Pd, which exhibits near-infrared absorption.