5-[4',4',5',5'-tetraamethyl-1',3',2'-dioxaborolan-2'-yl]-[10,20-di(1'-tertbutoxycarbonylamino-2'-phenylethyl)]porphyrinato zinc(II) | 1003601-71-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 5-[4',4',5',5'-tetraamethyl-1',3',2'-dioxaborolan-2'-yl]-[10,20-di(1'-tertbutoxycarbonylamino-2'-phenylethyl)]porphyrinato zinc(II)
• CAS: 1003601-71-5；1073191-49-7
• 化学式: C₅₂H₅₇BN₆O₆Zn
• 分子量: 938.262
• InChiKey: SCJIANGASLLWAD-RICDMFJYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  5-[4',4',5',5'-tetraamethyl-1',3',2'-dioxaborolan-2'-yl]-[10,20-di(1'-tertbutoxycarbonylamino-2'-phenylethyl)]porphyrinato zinc(II) 在 Cs₂CO₃ 、 Pd(P(C₆H₅)3)4 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 以50%的产率得到1,3-bis-[10',20'-di(1''-tertbutoxycarbonylamino-2''-phenylethyl)porphyrinato zinc(II)-5'-yl]benzene
  参考文献：
  名称：

  Determination of binding strength for the supramolecular complexation of a designed bisporphyrin with C60, C70 and their derivatives employing absorption spectrophotometric, fluorescence and quantum chemical calculations

  摘要：

  The present paper reports the synthesis of a designed bisporphyrin (1), and its supramolecular complexes with C-60, C-70 and their derivatives, namely, tert-butyl-(1,2-methanofullerene)-61-carboxylate (2) and [6,6]-phenyl C-70 butyric acid methyl ester (3) in toluene medium. C-60, C-70 and their derivatives undergo ground state non-covalent interaction with 1 is evidenced from absorption spectrophotometric study in which it is observed that the intensity of the Soret absorption band of 1 decreases considerably in presence of C-60, C-70 and their derivatives. Steady state fluorescence studies reveal efficient quenching of fluorescence of 1 in presence of fullerenes. The binding constant (K) values of the fullerene/1 complexes follows the trend: 2/1 < C-60/1 < 3/1 < C-70/1. However, selectivity in K values of the bisporphyrin complexes is found to be higher for fullerene derivatives in comparison to C-60 and C-70. Time resolved emission studies establish relatively long-lived charge separated state for the C-70/1 complex. Molecular mechanics calculations at force field model in vacuo evoke the single projection geometric structures of various fullerene/1 complexes and interpret their stability differences in terms of heat of formation values. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.05.099
• 作为产物：
  描述：

  5-bromo-[10,20-di(1'-tertbutoxycarbonylamino-2'-phenylethyl)]porphyrinato zinc(II) 、 联硼酸频那醇酯 在 trans-PdCl₂(P(C₆H₅)3)2 、 KOC(CH₃)3 作用下， 以 1,2-二氯乙烷 为溶剂， 以50%的产率得到5-[4',4',5',5'-tetraamethyl-1',3',2'-dioxaborolan-2'-yl]-[10,20-di(1'-tertbutoxycarbonylamino-2'-phenylethyl)]porphyrinato zinc(II)
  参考文献：
  名称：

  Determination of binding strength for the supramolecular complexation of a designed bisporphyrin with C60, C70 and their derivatives employing absorption spectrophotometric, fluorescence and quantum chemical calculations

  摘要：

  The present paper reports the synthesis of a designed bisporphyrin (1), and its supramolecular complexes with C-60, C-70 and their derivatives, namely, tert-butyl-(1,2-methanofullerene)-61-carboxylate (2) and [6,6]-phenyl C-70 butyric acid methyl ester (3) in toluene medium. C-60, C-70 and their derivatives undergo ground state non-covalent interaction with 1 is evidenced from absorption spectrophotometric study in which it is observed that the intensity of the Soret absorption band of 1 decreases considerably in presence of C-60, C-70 and their derivatives. Steady state fluorescence studies reveal efficient quenching of fluorescence of 1 in presence of fullerenes. The binding constant (K) values of the fullerene/1 complexes follows the trend: 2/1 < C-60/1 < 3/1 < C-70/1. However, selectivity in K values of the bisporphyrin complexes is found to be higher for fullerene derivatives in comparison to C-60 and C-70. Time resolved emission studies establish relatively long-lived charge separated state for the C-70/1 complex. Molecular mechanics calculations at force field model in vacuo evoke the single projection geometric structures of various fullerene/1 complexes and interpret their stability differences in terms of heat of formation values. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.05.099