4-N,4-N,5-N,5-N-tetramethyl-9,10,14,15,19,20-hexapropyl-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene-4,5-diamine | 199727-43-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-N,4-N,5-N,5-N-tetramethyl-9,10,14,15,19,20-hexapropyl-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene-4,5-diamine
• CAS: 199727-43-0
• 化学式: C₃₈H₅₆N₁₀
• 分子量: 652.93
• InChiKey: MPIOPTGZNJNPAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  48
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-N,4-N,5-N,5-N-tetramethyl-9,10,14,15,19,20-hexapropyl-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene-4,5-diamine 以 甲醇 、 氯仿 、 N,N-二甲基甲酰胺 、 氯苯 、 乙腈 为溶剂， 生成 benzene-1,2-dithiolate;nickel(2+);palladium(2+);4-N,4-N,5-N,5-N-tetramethyl-9,10,14,15,19,20-hexapropyl-2,7,12,17,21,23-hexaza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene-4,5-diamine
  参考文献：
  名称：

  Lange, Steven J.; Nie, Hanlin; Stern, Charlotte L., Inorganic Chemistry, 1998, vol. 37, # 25, p. 6435 - 6443

  摘要：

  DOI：

文献信息

• Seco-Porphyrazines:  Synthetic, Structural, and Spectroscopic Investigations
  作者：Antonio Garrido Montalban、Steven J. Lange、L. Scott Beall、Neelakandha S. Mani、David J. Williams、Andrew J. P. White、Anthony G. M. Barrett、Brian M. Hoffman

  DOI：10.1021/jo971599x

  日期：1997.12.1

  Linstead macrocyclization of dinitrile 1 gave [octakis(dimethylamino)porphyrazinato]ma (II) 2 and the seco-porphyrazine 4 from adventitious oxidation. The structure of the latter has been unequivocally established by an X-ray crystallographic study. Alternatively, compound 4 was obtained in high yield from the manganese dioxide-mediated oxidation of the free base porphyrazine 3. This convenient method was further extended to core metalated and unsymmetrical porphyrazines. In crystals of zinc-seco-porphyrazine 11, the molecules exist as face-to-face dimers linked via complexation of the zinc center in one molecule to one of the amide oxygen atoms in the other and vice versa. The cleaved pyrrole ring in seco- and diseco-porphyrazines causes a similar to 50-70 nm red-shifted split Q-band in the electronic absorption spectra.
• Lange, Steven J.; Nie, Hanlin; Stern, Charlotte L., Inorganic Chemistry, 1998, vol. 37, # 25, p. 6435 - 6443
  作者：Lange, Steven J.、Nie, Hanlin、Stern, Charlotte L.、Barrett, Anthony G. M.、Hoffman, Brian M.

  DOI：——

  日期：——