| 1174643-45-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 1174643-45-8
• 化学式: C₁₄H₁₃NO₂
• 分子量: 227.263
• InChiKey: NFFVZACQSMXEGW-OQLLNIDSSA-N

物化性质

• 沸点：
  426.2±40.0 °C(predicted)
• 密度：
  1.13±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.82
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 苯硼酸 以 四氢呋喃 为溶剂， 反应 1.0h， 以96%的产率得到
  参考文献：
  名称：

  Stereoselective addition of allylmagnesium chloride to the CN bond of [4.3.0] boron heterobicycles

  摘要：

  An efficient, simple protocol for the addition of allylmagnesium chloride to the C=N bond of [4.3.0] boron heterobicycles afforded five new dioxaboracyclononenes 4a-e in moderate yields (51-61%). The boronates were characterized by (1)H, (13)C, (11)B and 2D NMR experiments, and confirmed by X-ray analogues. The stereochemistry of the N-H, -CH(2)CH=CH, and B-Ph fusion is always cis, as established through NMR, and confirmed by X-ray structure of 4d. The structure of one of the addition products was established by X-ray analysis showing that, in the solid state, it exists as a polymeric structure formed by hydrogen bonds between the amine proton and the ester oxygen of the five-membered ring. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.122

文献信息

• Non-Peptidic Inhibitors of AKAP/PKA Interaction
  申请人：Klussmann Enno

  公开号：US20090176773A1

  公开（公告）日：2009-07-09

  The invention relates to non-peptidic molecules which modulate, especially inhibit, the interaction of protein kinase A (PKA) and A kinase anchor proteins (AKAP) and to a host or target organism that comprises said non-peptidic compounds or recognition molecules directed to said compounds, such as e.g. antibodies or chelating agents. The invention also relates to a pharmaceutical agent, especially for use in the treatment of diseases that are associated with a disturbance of the cAMP signal path, especially insipid diabetes, hypertonia, pancreatic diabetes, duodenal ulcer, asthma, heart failure, obesity, AIDS, edema, hepatic cirrhosis, schizophrenia and others. The invention also relates to the use of the inventive molecules.