| 1048678-37-0

• 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
• CAS: 1048678-37-0
• 化学式: C₁₀₈H₁₁₆N₁₂O₈
• 分子量: 1710.18
• InChiKey: SYYCIBZDIBBUNM-QMROBXNSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.64
• 重原子数：
  128.0
• 可旋转键数：
  0.0
• 环数：
  39.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  240.68
• 氢给体数：
  4.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  三氟甲磺酸三甲基硅酯 、 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.25h， 生成
  参考文献：
  名称：

  Steroid Derived Mesoionic Gold and Silver Mono- and Polymetallic Carbenes

  摘要：

  A two-step synthesis of gold mesoionic carbene complexes containing estrone moieties has been developed. The method uses the methylation of the triazole nucleus, followed by the treatment of the triazolium salt with Ag2O and transmetalation with [AuCl(SMe2)]. Mono-, bi-, tri-, and tetrametallic gold complexes can be obtained depending on the structure of the starting triazolium salts. Tetrametallic gold carbene embedded in a macrocylic stereoidal cavity containing four estrone nuclei has been also prepared. Additionally, the mono- and bimetallic silver carbene complexes containing triazole-steroid ligands have been isolated and characterized. These complexes resulted to be stable and have been characterized by spectroscopic and HRMS techniques. The gold and silver complexes having triazole-steroid ligands are unprecedented in the literature and the method reported here to access to these compounds is easy and efficient. Preliminary results regarding the catalytic activity of some of the gold-carbenes prepared in the insertion of diazoalkanes into alcohols are presented.

  DOI：

  10.1021/acs.inorgchem.5b01524
• 作为产物：
  描述：

  (8R,9S,13S,14S,17R)-17-ethynyl-3-[[1-[[2-[[4-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol 在 吡啶 、 copper(II) acetate monohydrate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以77%的产率得到
  参考文献：
  名称：

  A Straightforward Synthesis of Tetrameric Estrone-Based Macrocycles

  摘要：

  A straightforward approach to macrocycles having four estrone-derived nuclei by the sequential Cu-catalyzed Huisgen azide-alkyne cycloaddition-Glaser-Eglington Cu homocoupling has been developed. Due to its efficiency and simplicity, this sequence is useful for application to different natural product scaffolds.

  DOI：

  10.1021/ol801313g