bis(2-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-oxoethyl) malonate | 1069136-74-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: bis(2-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-oxoethyl) malonate
• CAS: 1069136-74-8
• 化学式: C₆₁H₉₆O₈
• 分子量: 957.428
• InChiKey: PXTCAQKEXVDVTH-DEFHLBEWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.37
• 重原子数：
  69.0
• 可旋转键数：
  18.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.87
• 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：

  bis(2-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-oxoethyl) malonate 、 足球烯 在 四溴化碳 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以23%的产率得到
  参考文献：
  名称：

  Complexes between hydrogen bonded bisporphyrin tweezers and cholesterol-appended fullerenes as organogelators and liquid crystals

  摘要：

  This paper reports the gelation and liquid crystal properties of a class of new complexes between zinc and copper bisporphyrin and C-60 derivatives. The bisporphyrins are induced by intramolecular hydrogen bonding to adopt a preorganized V-shaped conformation and therefore efficiently complex the C-60 derivatives. As a result, the capacity of their mixtures to gelate alkanes is increased notably. The bisporphyrins themselves and their complexes with the C-60 derivatives form the smectic liquid crystal phase. However, the glassy transition temperature of the complexes decreases considerably. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.09.107
• 作为产物：
  描述：

  4,6-dioxo-3,7-dioxa-nonanedioic acid 、 胆固醇 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以43%的产率得到bis(2-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-oxoethyl) malonate
  参考文献：
  名称：

  Complexes between hydrogen bonded bisporphyrin tweezers and cholesterol-appended fullerenes as organogelators and liquid crystals

  摘要：

  This paper reports the gelation and liquid crystal properties of a class of new complexes between zinc and copper bisporphyrin and C-60 derivatives. The bisporphyrins are induced by intramolecular hydrogen bonding to adopt a preorganized V-shaped conformation and therefore efficiently complex the C-60 derivatives. As a result, the capacity of their mixtures to gelate alkanes is increased notably. The bisporphyrins themselves and their complexes with the C-60 derivatives form the smectic liquid crystal phase. However, the glassy transition temperature of the complexes decreases considerably. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.09.107