1,4,7,10-Tetramethyl-2,3,8,9,13,14-hexaoxatricyclo[8.2.1.14,7]tetradeca-5,11-diene | 117958-23-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1,4,7,10-Tetramethyl-2,3,8,9,13,14-hexaoxatricyclo[8.2.1.14,7]tetradeca-5,11-diene
• CAS: 117958-23-3
• 化学式: C₁₂H₁₆O₆
• 分子量: 256.255
• InChiKey: XSKDFGHBWMJZQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,4,7,10-Tetramethyl-2,3,8,9,13,14-hexaoxatricyclo[8.2.1.14,7]tetradeca-5,11-diene 在 三苯基膦 作用下， 以 Petroleum ether 、 苯 为溶剂， 生成 反式-3-烯-2,5-己二酮
  参考文献：
  名称：

  Gollnick,K.; Griesbeck,A., Angewandte Chemie, 1983, vol. 95, p. 751

  摘要：

  DOI：
• 作为产物：
  描述：

  endo-2,5-epidioxy-2,5-dihydro-2,5-dimethylfuran 以 四氯化碳 为溶剂， 生成 1,4,7,10-Tetramethyl-2,3,8,9,13,14-hexaoxatricyclo[8.2.1.14,7]tetradeca-5,11-diene
  参考文献：
  名称：

  Gollnick,K.; Griesbeck,A., Angewandte Chemie, 1983, vol. 95, p. 751

  摘要：

  DOI：

文献信息

• Dihydrogen Trioxide (HOOOH) Photoelimination from a Platinum(IV) Hydroperoxo-Hydroxo Complex
  作者：Lasantha A. Wickramasinghe、Paul R. Sharp

  DOI：10.1021/ja507263f

  日期：2014.10.8

  Photolysis (380 nm) of trans-Pt(PEt3)(2)(Cl)(OH)(OOH)(4-trifluoromethylphenyl) (1) at -78 degrees C in acetone-d(6) or toluene-d(8) yields HOOOH (16-20%) and trans-Pt(PEt3)(2)(Cl)(4-trifluoromethylphenyl) (2). Also observed in acetone-d(6) are H2O2, (CD3)(2)C(OH)(OOH), and (CD3)(2)C(OOH)(2). Thermal decomposition or room-temperature photolysis of 1 gives O-2, water, and 2. Computational modeling (DFT) suggests two intramolecular hydrogen-bonding-dependent triplet pathways for the photolysis and two possible pathways for the thermolysis, one involving proton transfer from the OOH to the OH ligand and the other homolysis of the PtOOH bond, abstraction of the OH ligand, and decomposition of the resulting H2O3. Trapping studies suggest the latter pathway.
• Tetranuclear Gadolinium(III) Porphyrin Complex as a Theranostic Agent for Multimodal Imaging and Photodynamic Therapy
  作者：Jian Luo、Li-Feng Chen、Ping Hu、Zhong-Ning Chen

  DOI：10.1021/ic500238s

  日期：2014.4.21

  We describe herein the elaborate design of a Gd(III)-porphyrin complex as a theranostic agent for multimodal imaging and photodynamic therapy. Far-red-emitting (665 nm) and high relaxivity (14.1 mM(-1) s(-1)) with 10796 increase upon binding to HSA (human serum albumin) (29.2 mM(-1) s(-1)) together with efficiently generating singlet oxygen upon exposure to far-red light irradiation at 650 +/- 20 nm demonstrate that this Gd(III)-porphyrin complex with four Gd(III)-DTTA units bound to tetraphenylporphyrin acts as a potentially theranostic agent with excellent performance for magnetic resonance imaging, optical imaging, and photodynamic therapy.