Methyl 4-[2,7-ditert-butyl-5-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylxanthen-4-yl]benzoate | 1256965-76-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: Methyl 4-[2,7-ditert-butyl-5-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylxanthen-4-yl]benzoate
• 英文别名: methyl 4-[2,7-ditert-butyl-5-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylxanthen-4-yl]benzoate
• CAS: 1256965-76-0
• 化学式: C₄₇H₄₆N₂O₃
• 分子量: 686.894
• InChiKey: YNYUDWWTSLDYQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 4-[2,7-ditert-butyl-5-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylxanthen-4-yl]benzoate 在 sodium hydroxide 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 4-[2,7-Ditert-butyl-5-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylxanthen-4-yl]benzoic acid
  参考文献：
  名称：

  Congested Cyclometalated Platinum(II) Ditopic Frameworks and Their Phosphorescent Responses to S-Containing Amino Acids

  摘要：

  New phosphorescent platinum(II) molecular hosts featuring a tridentate N,C,N-coordinating ligand, a conformationally rigid organic linker, and a binding group have been prepared. The complexes have been fully characterized by various spectroscopic techniques, and the X-ray crystal structure of one derivative has been determined. Their photophysical properties have been studied, and intense green metal-perturbed (IL)-I-3 emission is observed in solution at room temperature. The luminescent responses of these Pt(II) hosts to amino acids have been investigated: emission quenching and UV-vis absorption changes in polar/aqueous media are detected for terminal thiols only, and unusual preferential binding is apparent for cysteine over homocysteine. The nature of the host guest interactions has been examined by quantitative and comparative binding studies, mass spectrometry, and DFT calculations, which indicate that these observations may be ascribed to the presence of rigidly positioned ditopic binding sites.

  DOI：

  10.1021/om1007488
• 作为产物：
  描述：

  4-(5-bromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthen-4-yl)benzoic acid methyl ester 、 2-[3,5-di(2-pyridyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 Methyl 4-[2,7-ditert-butyl-5-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylxanthen-4-yl]benzoate
  参考文献：
  名称：

  Congested Cyclometalated Platinum(II) Ditopic Frameworks and Their Phosphorescent Responses to S-Containing Amino Acids

  摘要：

  New phosphorescent platinum(II) molecular hosts featuring a tridentate N,C,N-coordinating ligand, a conformationally rigid organic linker, and a binding group have been prepared. The complexes have been fully characterized by various spectroscopic techniques, and the X-ray crystal structure of one derivative has been determined. Their photophysical properties have been studied, and intense green metal-perturbed (IL)-I-3 emission is observed in solution at room temperature. The luminescent responses of these Pt(II) hosts to amino acids have been investigated: emission quenching and UV-vis absorption changes in polar/aqueous media are detected for terminal thiols only, and unusual preferential binding is apparent for cysteine over homocysteine. The nature of the host guest interactions has been examined by quantitative and comparative binding studies, mass spectrometry, and DFT calculations, which indicate that these observations may be ascribed to the presence of rigidly positioned ditopic binding sites.

  DOI：

  10.1021/om1007488

文献信息

• Congested Cyclometalated Platinum(II) Ditopic Frameworks and Their Phosphorescent Responses to S-Containing Amino Acids
  作者：Wah-Leung Tong、Michael C. W. Chan、Shek-Man Yiu

  DOI：10.1021/om1007488

  日期：2010.12.13

  New phosphorescent platinum(II) molecular hosts featuring a tridentate N,C,N-coordinating ligand, a conformationally rigid organic linker, and a binding group have been prepared. The complexes have been fully characterized by various spectroscopic techniques, and the X-ray crystal structure of one derivative has been determined. Their photophysical properties have been studied, and intense green metal-perturbed (IL)-I-3 emission is observed in solution at room temperature. The luminescent responses of these Pt(II) hosts to amino acids have been investigated: emission quenching and UV-vis absorption changes in polar/aqueous media are detected for terminal thiols only, and unusual preferential binding is apparent for cysteine over homocysteine. The nature of the host guest interactions has been examined by quantitative and comparative binding studies, mass spectrometry, and DFT calculations, which indicate that these observations may be ascribed to the presence of rigidly positioned ditopic binding sites.