6-(2,5-Ditert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone | 215309-55-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-(2,5-Ditert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• CAS: 215309-55-0
• 化学式: C₂₈H₂₆N₂O₄
• 分子量: 454.525
• InChiKey: CEJUPEWIJGVOIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8,11,14,17-tetrakis(3,5-di-tert-butylphenyl)-2,4-diaminopteridino[2,3,b]porphyrin 、 6-(2,5-Ditert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  A Rigid Chlorin−Naphthalene Diimide Conjugate. A Possible New Noncovalent Electron Transfer Model System

  摘要：

  Described in this paper is the synthesis and study of a rigid "coplanar" noncovalent electron-transfer model system. This putative noncovalent complex juxtaposes a novel donor (chlorin) and acceptor (naphthalene diimide) via a three-point hydrogen bonding interaction (CDCl3, K-a = 364 +/- 47 M-1). It was studied by steady state fluorescence, time-resolved luminescence, and transient absorption methods. The results of the studies are consistent with (1) forward intraensemble electron transfer (ET) taking place rapidly following photoexcitation of the chlorin donor at 575 nm (k(ET) = 7.6 x 10(8) s(-l); Delta G(cs) similar to -457 mV; Phi = 0.91) and (2) back electron transfer occurring even more rapidly.

  DOI：

  10.1021/jo9810112
• 作为产物：
  描述：

  2,5-二叔丁基苯胺 在 1,3,5-三氯苯 、 尿素 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 生成 6-(2,5-Ditert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
  参考文献：
  名称：

  A Rigid Chlorin−Naphthalene Diimide Conjugate. A Possible New Noncovalent Electron Transfer Model System

  摘要：

  Described in this paper is the synthesis and study of a rigid "coplanar" noncovalent electron-transfer model system. This putative noncovalent complex juxtaposes a novel donor (chlorin) and acceptor (naphthalene diimide) via a three-point hydrogen bonding interaction (CDCl3, K-a = 364 +/- 47 M-1). It was studied by steady state fluorescence, time-resolved luminescence, and transient absorption methods. The results of the studies are consistent with (1) forward intraensemble electron transfer (ET) taking place rapidly following photoexcitation of the chlorin donor at 575 nm (k(ET) = 7.6 x 10(8) s(-l); Delta G(cs) similar to -457 mV; Phi = 0.91) and (2) back electron transfer occurring even more rapidly.

  DOI：

  10.1021/jo9810112

文献信息

• A Rigid Chlorin−Naphthalene Diimide Conjugate. A Possible New Noncovalent Electron Transfer Model System
  作者：Jonathan L. Sessler、Christopher T. Brown、Don O'Connor、Stacy L. Springs、Ruizheng Wang、Muhunthan Sathiosatham、Takuji Hirose

  DOI：10.1021/jo9810112

  日期：1998.10.1

  Described in this paper is the synthesis and study of a rigid "coplanar" noncovalent electron-transfer model system. This putative noncovalent complex juxtaposes a novel donor (chlorin) and acceptor (naphthalene diimide) via a three-point hydrogen bonding interaction (CDCl3, K-a = 364 +/- 47 M-1). It was studied by steady state fluorescence, time-resolved luminescence, and transient absorption methods. The results of the studies are consistent with (1) forward intraensemble electron transfer (ET) taking place rapidly following photoexcitation of the chlorin donor at 575 nm (k(ET) = 7.6 x 10(8) s(-l); Delta G(cs) similar to -457 mV; Phi = 0.91) and (2) back electron transfer occurring even more rapidly.