| 1308747-87-6

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 1308747-87-6
• 化学式: C₃₈H₄₅N₅O₅S
• 分子量: 683.872
• InChiKey: ISUZOODFSSBWEB-UESQNQCPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.89
• 重原子数：
  49.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  142.47
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-硝基联苯胺 在 吡啶 、 4-二甲氨基吡啶 、 (1R,5S,7r)-N-(4'-(3-(((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)thioureido)-2'-nitro-[1,1'-biphenyl]-4-yl)-2,4-dioxo-1,5,7-tripropyl-3-azabicyclo[3.3.1]nonane-7-carboxamide 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 39.0h， 生成
  参考文献：
  名称：

  Autocatalysis and Organocatalysis with Kemp’s Triacid Compounds

  摘要：

  Synthetic structures capable of autocatalysis based on molecular recognition - self-replication - were introduced nearly 20 years ago. These systems involved neither informational oligomers such as nucleic acids nor conditions that are generally regarded as prebiotic, but they revealed how self-complementary molecules could act as templates for their own formation and helped define the structure of minimalist replicators. Recent expansions in the field of organocatalysis raise the possibility that a synthetic structure might behave as an autocatalyst and function as a chemical catalyst for other reactions. We show here that these properties can be engineered into a single synthetic structure: the compound can selectively accelerate its own formation and catalyzes hydrogenation reactions of nitrostyrene. It is likely that a wide variety of synthetic structures can be modified for autocatalysis and organocatalysis.

  DOI：

  10.3987/com-10-s(e)31