| 170947-55-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• CAS: 170947-55-4
• 化学式: C₃₈H₄₄O₈
• 分子量: 628.763
• InChiKey: WXSBGCCLAFDNGW-COSNJXBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  46.0
• 可旋转键数：
  4.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  105.2
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 溴 作用下， 以 苯 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  Cavity-shaped molracs with inward-facing, direct line-of-sight functionality

  摘要：

  New rigid cavity molecules are described in which bromides, epoxides, olefins, alcohols and acetates are positioned such that there is direct line of sight between them. Examples are provided of systems where the separation distances are in the range from 4-7 Angstrom, although the principles espoused allow production of molecules with significantly larger separation.

  DOI：

  10.1016/0040-4039(95)01164-d
• 作为产物：
  描述：

  环戊二烯 、 以72%的产率得到
  参考文献：
  名称：

  Cavity-shaped molracs with inward-facing, direct line-of-sight functionality

  摘要：

  New rigid cavity molecules are described in which bromides, epoxides, olefins, alcohols and acetates are positioned such that there is direct line of sight between them. Examples are provided of systems where the separation distances are in the range from 4-7 Angstrom, although the principles espoused allow production of molecules with significantly larger separation.

  DOI：

  10.1016/0040-4039(95)01164-d

文献信息

• The synthesis of inward-facing 3,6-di(2-pyridyl)pyridazine ligands
  作者：Douglas N. Butler、Paul M. Tepperman、Robert A. Gau、Ronald N. Warrener

  DOI：10.1016/0040-4039(96)00397-8

  日期：1996.4

  A new class of inward-facing bis(dpp-ligands) fused to rigid molecular racks are reported, eg 17 and 19. The 3,6-di(2-pyridyl)pyridazine ligand units are formed by the reaction of 3,6-di(2-pyridyl)s-tetrazine with molrac bis(olefins), eg 11 and 18 (followed by oxidation of the intermediate dihydropyridazines); additionally mono-olefin, mono-pyridazines 14 and 21 are reported. Molecular modelling and

  据报道，一类新的向内二聚（dpp-配体）与刚性分子架融合，例如17和19。3,6-二（2-吡啶基）哒嗪配体单元是通过3,6-二（2-吡啶基）s-四嗪与molrac双（烯烃）（例如11和18）的反应形成的（随后通过氧化中间体二氢哒嗪）；此外，还报道了单烯烃，单哒嗪14和21。包括分子建模和产物形成机理的评论。