Magnesium;4,5,9,10,14,15-hexapropyl-21-selena-2,7,12,17,20,24,25,27-octaza-22,26-diazanidahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(23),2,4,6(27),7,9,11,13(25),14,16,18(24),19-dodecaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Magnesium;4,5,9,10,14,15-hexapropyl-21-selena-2,7,12,17,20,24,25,27-octaza-22,26-diazanidahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(23),2,4,6(27),7,9,11,13(25),14,16,18(24),19-dodecaene
• 化学式: C₃₄H₄₂N₁₀Se*Mg
• 分子量: 694.039
• InChiKey: ZUUAFYZHZPYMDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.27
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Magnesium;4,5,9,10,14,15-hexapropyl-21-selena-2,7,12,17,20,24,25,27-octaza-22,26-diazanidahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(23),2,4,6(27),7,9,11,13(25),14,16,18(24),19-dodecaene 在 三氟乙酸 作用下， 反应 0.25h， 以70%的产率得到4,5,9,10,14,15-Hexapropyl-21lambda4-selena-2,7,12,17,20,22,24,25,26,27-decazahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(23),2,4,6,8(26),9,11,13(25),14,16,18,20,21-tridecaene
  参考文献：
  名称：

  Synthesis and Reactions of Aminoporphyrazines with Annulated Five- and Seven-Membered Rings

  摘要：

  The novel five- and seven-membered ring appended aminoporphyrazines 3 and 12 have been prepared via mixed Linstead macrocyclization. The structures of both have been unequivocally established by X-ray crystallographic studies. Reductive deselenation of selenadiazole 3 in the presence of 9,10-phenanthrenequinone or 2,3-butanedione results in the formation of pyrazines 6a,b, whereas oxidation of porphyrazine 12 gave the corresponding seco derivative 14. seco-Porphyrazine 14 mediates the generation of singlet oxygen with a quantum yield of 0.74.

  DOI：

  10.1021/jo026484u
• 作为产物：
  描述：

  cis-2,3-dipropylmaleonitrile 、 1,2,5-硒二唑-3,4-二腈基 在 magnesium di-n-butanolate 作用下， 以 正丁醇 为溶剂， 反应 12.0h， 以42%的产率得到Magnesium;4,5,9,10,14,15-hexapropyl-21-selena-2,7,12,17,20,24,25,27-octaza-22,26-diazanidahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(23),2,4,6(27),7,9,11,13(25),14,16,18(24),19-dodecaene
  参考文献：
  名称：

  Synthesis and Reactions of Aminoporphyrazines with Annulated Five- and Seven-Membered Rings

  摘要：

  The novel five- and seven-membered ring appended aminoporphyrazines 3 and 12 have been prepared via mixed Linstead macrocyclization. The structures of both have been unequivocally established by X-ray crystallographic studies. Reductive deselenation of selenadiazole 3 in the presence of 9,10-phenanthrenequinone or 2,3-butanedione results in the formation of pyrazines 6a,b, whereas oxidation of porphyrazine 12 gave the corresponding seco derivative 14. seco-Porphyrazine 14 mediates the generation of singlet oxygen with a quantum yield of 0.74.

  DOI：

  10.1021/jo026484u

文献信息

• Synthesis and Magnetic Properties Comparison of M−Cu(II) and M−VO(II) Schiff Base−Porphyrazine Complexes:  What Is the Mechanism for Spin-Coupling?
  作者：Min Zhao、Chang Zhong、Charlotte Stern、Anthony G. M. Barrett、Brian M. Hoffman

  DOI：10.1021/ja0438112

  日期：2005.7.13

  |J(Cu-VO)/J(Cu-Cu)|; for the ClMn-M(2) complexes 1[ClMn; Cu; Pr] and 1[ClMn; VO; Pr], J(ClMn-VO)/J(ClMn-Cu) approximately 1/3, an inverse ratio from that of the Cu-M(2) complexes, but with lesser discrimination. This coupling pattern is explained in terms of a novel orientation relative to the M(1)-M(2) direction: the "square-planar" Schiff base ligand set of M(2) is rotated in-plane by 45 degrees relative

  双金属席夫碱-四氮杂卟啉 (pz) 化合物，表示为 1[M(1); M(2); R]，已制备，其中金属离子 M(1) 结合到 pz 核中，金属离子 M(2) 与双（5-叔丁基水杨亚胺）螯合物结合，该螯合物建立在与 pz 相连的两个氨基氮上周边; R 是一个增溶基团（丙基 (Pr) 或 3,4,5-三甲氧基苯基 (TMP)），连接到 pz 外围的剩余碳原子上。1[Cu;的合成 铜；R], 1[铜; VO; R], 1[ClMn; 铜；Pr], 和 1[ClMn; VO; Pr]讨论，1[Cu; 铜；TMP]和1[ClMn; VO; Pr]，并比较了这些化合物的磁性。这些配合物中配体介导的交换耦合模式令人吃惊：对于 Cu-M(2) 配合物 1[Cu; VO; R] 和 1[Cu; 铜；R], 2 x 10(2) < 或 = |J(Cu-VO)/J(Cu-Cu)|；对于 ClMn-M(2) 配合物
• Synthesis and Properties of Dimetallic M¹[Pz]−M²[Schiff Base] Complexes
  作者：Min Zhao、Chang Zhong、Charlotte Stern、Anthony G. M. Barrett、Brian M. Hoffman

  DOI：10.1021/ic035402x

  日期：2004.5.1

  We report the synthesis and physical characterization of a series of peripherally functionalized porphyrazines (pz's) 1[M(1); M(2); R], where M(1) is a metal ion incorporated into the pz core, M(2) is a metal ion bound to a bis(5-tert-butyl-salicylidenimine) chelate built onto two amino nitrogen attached to the pz periphery, and R is a solubilizing group (either n-propyl (Pr) or 3,4,5-trimethoxyphenyl

  我们报告了一系列外围功能化的卟啉（pz's）1 [M（1）;的合成和物理表征。M（2）；R]，其中M（1）是结合到pz核中的金属离子，M（2）是与双（5-叔丁基-水杨亚胺）螯合物结合的金属离子，该螯合物构建在连接到pz外围的两个氨基氮上R是连接到pz外围剩余碳上的增溶基团（正丙基（Pr）或3,4,5-三甲氧基苯基（TMP）基团）。1 [M（1）; M（2）；R]种是由具有亚硒二唑环的前体pz制备的；它们被脱保护形成二氨基pz，该二氨基pz与两摩尔的5-叔丁基-2-羟基苯甲醛反应形成席夫碱pz。将其金属化以形成1 [M（1）; M（2）；R]。1 [2H; 你; Pr]和1 [Cu; 氯化锰; Pr]。用Cu（II）（S =（1）/（2））和ClMn（III）（S = 2）离子1 [ClMn; 铜 Pr]和1 [Cu; 氯化锰; [TMP]是S =（3）/（2）和S =（5）/（2）的总自旋