5,7-diphenyl-1,4-diazepinotribenzoporphyrazine | 1121800-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 5,7-diphenyl-1,4-diazepinotribenzoporphyrazine
• 英文别名: 33,35-Diphenyl-2,11,20,29,32,36,38,39,40,41-decazanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4,6,8,10(41),11,13,15,17,19(40),20,22,24,26,28(39),30,32,35-nonadecaene；33,35-diphenyl-2,11,20,29,32,36,38,39,40,41-decazanonacyclo[28.7.1.13,10.112,19.121,28.04,9.013,18.022,27.031,37]hentetraconta-1(37),2,4,6,8,10(41),11,13,15,17,19(40),20,22,24,26,28(39),30,32,35-nonadecaene
• CAS: 1121800-92-7
• 化学式: C₄₃H₂₆N₁₀
• 分子量: 682.746
• InChiKey: RBKHAVDRLAWCAS-UHFFFAOYSA-N

物化性质

• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  53
• 可旋转键数：
  2
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5,7-diphenyl-1,4-diazepinotribenzoporphyrazine 反应 8.0h， 生成 (2,3-diphenyl)pyrazinotribenzoporphyrazine 、 (2-phenyl)imidazolotribenzoporphyrazine
  参考文献：
  名称：

  Synthesis of (2,3-diphenyl)pyrazinotribenzoporphyrazine

  摘要：

  By the method of template cyclotetramerization magnesium(II) (2,3-diphenyl)pyrazinotribenzoporphyrazinate was synthesized, and it was converted into (2,3-diphenyl)pyrazinotribenzoporphyrazine. (2,3-Diphenyl)-pyrazinotribenzoporphyrazine and (2-phenyl)imidazolotribenzoporphyrazine were synthesized from 5,7-diphenyl-1,4-diazepinotribenzoporphyrazine by vacuum sublimation.

  DOI：

  10.1134/s1070428012110115
• 作为产物：
  描述：

  magnesium(II) 5,7-diphenyl-1,4-diazepinotribenzoporphyrazinate 在 三氟乙酸 作用下， 以60%的产率得到5,7-diphenyl-1,4-diazepinotribenzoporphyrazine
  参考文献：
  名称：

  Synthesis of (2,3-diphenyl)pyrazinotribenzoporphyrazine

  摘要：

  By the method of template cyclotetramerization magnesium(II) (2,3-diphenyl)pyrazinotribenzoporphyrazinate was synthesized, and it was converted into (2,3-diphenyl)pyrazinotribenzoporphyrazine. (2,3-Diphenyl)-pyrazinotribenzoporphyrazine and (2-phenyl)imidazolotribenzoporphyrazine were synthesized from 5,7-diphenyl-1,4-diazepinotribenzoporphyrazine by vacuum sublimation.

  DOI：

  10.1134/s1070428012110115

文献信息

• Synthesis and Spectroscopic Properties of Low-Symmetry Tribenzoporphyrazines with Annulated 6H-1,4-Diazepine Ring
  作者：Maria Pia Donzello、Claudio Ercolani、Luisa Mannina、Elisa Viola、Alëna Bubnova、Ol'ga G. Khelevina、Pavel A. Stuzhin

  DOI：10.1071/ch08071

  日期：——

  corresponding alcohol leads to a mixture of MgII-diazepinoporphyrazines 3–6 from which the low symmetry 3:1 species 3, which contains three annulated benzene and one 1,4-diazepine rings, is separated by column chromatography as the aquo complex, [2,4-diphenyltribenzo[b,g,l][1,4]diazepino[2,3-q]porphyrazinato(aquo)magnesium(ii)], [Bz3DzPzMg(H2O)]. The complex 3 can be demetalated in acetic or trifluoroacetic

  2,3-二氰基-5,7-二苯基-6H-1,4-二氮杂 1 与 10 倍摩尔过量的邻苯二甲腈 2 在相应的醇中存在 MgII 丙氧基或丁氧基的情况下的模板共缩合产生混合物MgII-二氮杂卟啉 3-6 的低对称性 3:1 物种 3，其中包含三个环状苯和一个 1,4-二氮杂环，通过柱色谱分离为水络合物，[2,4-二苯基三苯并[b ,g,l][1,4]diazepino[2,3-q]porphyrazinato(aquo)magnesium(ii)], [Bz3DzPzMg(H2O)]。配合物 3 可以在温和条件下在乙酸或三氟乙酸中脱金属，形成相应的游离碱 [Bz3DzPzH2] 3a。后者也通过相同的前体 1 和 2 在乙醇中的乙醇钠或丁醇中的丁醇锂的存在下共环四聚化，然后在酸性介质中使中间体二钠盐或二锂盐脱金属而形成。在元素分析、质谱和 1H NMR 光谱的基础上确定了所得化合物的组成和结构。可变温度
• Complexation of Benzoannelated Porphyrazines with Zinc(II) and Cobalt(II) Acetates in Pyridine
  作者：A. S. Malyasova、P. N. Smirnova、O. I. Koifman

  DOI：10.1134/s0036023622030093

  日期：2022.3

  Abstract Complexation of tribenzodiazepinoporphyrazine with Cu(II), Zn(II), and Co(II) acetates has been studied. Cu(II) complex of tribenzodiazepinoporphyrazine forms immediately, therefore Zn(II) and Co(II) acetates have been used as salts. It has been found that the rate of complex formation of tribenzodiazepinoporphyrazine with metal ions in pyridine decreases in the series: Cu(II) > Zn(II) > Co(II)

  摘要 已经研究了三苯并二氮杂卟啉与 Cu(II)、Zn(II) 和 Co(II) 乙酸盐的络合。三苯并二氮杂卟啉的 Cu(II) 络合物立即形成，因此 Zn(II) 和 Co(II) 乙酸盐已被用作盐。已发现三苯并二氮杂卟啉与吡啶中的金属离子的络合物形成速率按以下顺序递减：Cu(II) > Zn(II) > Co(II)，该顺序与四氮杂卟啉的文献数据非常吻合。当二氮杂片段被吡嗪一替代时，四氮杂四氢呋喃与 Zn(II) 络合的速率降低。推测在三苯并二氮杂卟啉的情况下，金属插入反应通过形成外部络合物进行，这有利于锌(II)离子进一步引入大环的配位中心。
• The state and stability of magnesium(II) complexes with azaporphyrins in the proton-donor medium
  作者：O. G. Khelevina、M. V. Ishutkina、A. S. Malyasova

  DOI：10.1134/s1070363213080136

  日期：2013.8

  The state and stability of magnesium complexes with various azaporphyrins in the proton-donor media containing acetic acid have been studied. Kinetic parameters of the complexes dissociation have been determined, possible reactions mechanisms have been proposed.
• Synthesis and properties of 172-phenyl-5,10,15,20-tetraazatribenzo[b,g,l]pyrazino[2,3-q]porphyrin-173(174 H)-one
  作者：A. S. Malyasova、E. A. Kokareva、P. A. Tarakanov、V. V. Aleksandriiskii、O. G. Khelevina、O. I. Koifman

  DOI：10.1134/s1070428013120178

  日期：2013.12

  17(2)-Phenyl-5,10,15,20-tetraazatribenzo[b,g,l]pyrazino[2,3-q]porphyrin-17(3)(17(4) H)-one was synthesized for the first time by template cyclotetramerization of 5,7-diphenyl-6H-1,4-diazepine-2,3-dicarbonitrile with phthalonitrile. Its complexation with zinc(II) acetate followed a bimolecular mechanism. Acid-base properties of the resulting zinc complex in benzene-acetic acid were studied, and the stability constant of its monoprotonated (at the meso-nitrogen atom) form was determined.
• Synthesis of (2,3-diphenyl)pyrazinotribenzoporphyrazine
  作者：E. A. Kokareva、O. G. Khelevina

  DOI：10.1134/s1070428012110115

  日期：2012.11

  By the method of template cyclotetramerization magnesium(II) (2,3-diphenyl)pyrazinotribenzoporphyrazinate was synthesized, and it was converted into (2,3-diphenyl)pyrazinotribenzoporphyrazine. (2,3-Diphenyl)-pyrazinotribenzoporphyrazine and (2-phenyl)imidazolotribenzoporphyrazine were synthesized from 5,7-diphenyl-1,4-diazepinotribenzoporphyrazine by vacuum sublimation.