thioacetic acid S-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl) ester | 569339-59-9

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: thioacetic acid S-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl) ester
• CAS: 569339-59-9
• 化学式: C₁₀H₁₇NOS
• 分子量: 199.317
• InChiKey: YQKJZRBZTBUEEA-ILWJIGKKSA-N

物化性质

• 沸点：
  276.1±29.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.89
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  thioacetic acid S-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl) ester 、 3-氯-4-氟溴苯 在 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以53%的产率得到
  参考文献：
  名称：

  A convenient microwave-assisted arylstannane generation-Stille coupling protocol

  摘要：

  An efficient methodology for the synthesis of complex pyridin-3-yl-phenyl biaryl systems is described; microwave irradiation greatly enhances the rate of the two Pd-catalyzed key steps: formation of the stannane partner and its subsequent Stille coupling with a range of highly functionalized pyridines. Besides being fast and high yielding, this process also allows diversification of the pyridine at a late stage. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.015
• 作为产物：
  描述：

  3-tropanol 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 thioacetic acid S-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl) ester
  参考文献：
  名称：

  A convenient microwave-assisted arylstannane generation-Stille coupling protocol

  摘要：

  An efficient methodology for the synthesis of complex pyridin-3-yl-phenyl biaryl systems is described; microwave irradiation greatly enhances the rate of the two Pd-catalyzed key steps: formation of the stannane partner and its subsequent Stille coupling with a range of highly functionalized pyridines. Besides being fast and high yielding, this process also allows diversification of the pyridine at a late stage. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.015

文献信息

• Modulators of acetylcholine receptors
  申请人：Astles Charles Peter

  公开号：US20070054912A1

  公开（公告）日：2007-03-08

  Compounds comprising an aza-bicyclic portion and an aromatic portion linked via an optionally oxidized sulphur atom are disclosed. The compounds disclosed are useful for the treatment of dysfunctions of the central and autonomic nervous systems.

  本发明揭示了一种由一种氮杂双环部分和一种芳香部分通过一个可选的氧化硫原子连接的化合物。所述化合物可用于治疗中枢神经系统和自主神经系统的功能障碍。