| 1086633-59-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1086633-59-1
• 化学式: C₃₉H₂₇FeN₆S₃
• 分子量: 731.729
• InChiKey: RRCSKESFAAJBEG-WUFCKAHBSA-N

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

• 作为产物：
  描述：

  5-(3-thienyl)dipyrromethane 、 三氯化铁 在 DDQ 作用下， 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Optical Effects of S-Oxidation and Mⁿ⁺ Binding in meso-Thienyl Dipyrrin Systems and of Stepwise Bromination of 4,4-Difluoro-8-(2,5-dibromo-3-thienyl)-4-bora-3a,4a-diaza-s-indacene

  摘要：

  We report 16 novel species and 8 molecular structures in studying how meso-thienyl-substituted dipyrrole oxidation, bromination, and metal ion binding impart optical changes, as monitored by UV-vis absorption/emission spectroscopy. Treatment of 4,4-difluoro-8-(3-benzothienyl)-4-bora-3a,4a-diaza-s-indacene (phi(F) = 0.19) with m-CPBA gives selective S-dioxidation (phi(F) = 0.006). Results of titrations of transition metal- and "scorpionate"-like dipyrrin species varied under room temperature treatment of m-CPBA. Ni-(thienyl-dipyrrin), (n = 2) degraded significantly in the presence of m-CPBA, whereas related species (M = Cu, Fe, Co; n = 2, 3) were inert. meso-Thienyl group properties were revealed through the use of 3,4,4-triphenyl-8-(thienyl)-4-bora-3a,4a-diaza-s-indacene; Cu2+ addition resulted in smooth absorption decreases which were modeled to support 1:1 substrate: M2+ binding; for Hg2+ 1:2 substrate: M2+ binding was found. Treatment of 4,4-difluoro-8-(2,5-dibromo-3-thienyl)-4-bora-3a, 4a-diaza-s-indacene with Br-2 gave red-shifted UV-vis absorption band features that grow with increasing dipyrrin bromination. Structures of the di- and tetra-substituted bromination products were obtained.

  DOI：

  10.1021/ic801354y