Methyl 5-(chlorocarbonyl)bicyclo[3.2.1]octane-1-carboxylate | 110371-19-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 5-(chlorocarbonyl)bicyclo[3.2.1]octane-1-carboxylate
• 英文别名: Methyl 5-carbonochloridoylbicyclo[3.2.1]octane-1-carboxylate
• CAS: 110371-19-2
• 化学式: C₁₁H₁₅ClO₃
• 分子量: 230.691
• InChiKey: AWORZXKFFDXBFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 5-(chlorocarbonyl)bicyclo[3.2.1]octane-1-carboxylate 在 4-二甲氨基吡啶 、 2-mercaptopyridine-1-oxide sodium salt 、 叔丁基硫醇 作用下， 以 苯 为溶剂， 以90%的产率得到双环[3.2.1]辛烷-1-羧酸
  参考文献：
  名称：

  Della, Ernest W.; Tsanaktsidis, John, Australian Journal of Chemistry, 1986, vol. 39, p. 2061 - 2066

  摘要：

  DOI：
• 作为产物：
  描述：

  双环[3.2.1]辛烷-1,5-二羧酸甲酯 在 氯化亚砜 作用下， 反应 2.0h， 以96%的产率得到Methyl 5-(chlorocarbonyl)bicyclo[3.2.1]octane-1-carboxylate
  参考文献：
  名称：

  Della, Ernest W.; Tsanaktsidis, John, Australian Journal of Chemistry, 1986, vol. 39, p. 2061 - 2066

  摘要：

  DOI：

文献信息

• Synthesis of bridgehead fluorides by fluorodeiodination
  作者：Ernest W. Della、Nicholas J. Head

  DOI：10.1021/jo00036a018

  日期：1992.5

  Fluorodeiodination is found to be an attractive procedure for the synthesis of bridgehead fluorides. Thus, treatment of the corresponding iodide with xenon difluoride in dichloromethane at ambient temperature generally leads to high yields of the fluoride. Evidence suggests the intermediacy of the bridgehead cation in this reaction, and accordingly the substrates which are unfavorably disposed to fluorodeiodination are the bicyclo[n.1.1]alkyl iodides. In this context the isolation of a small quantity of methyl 4-fluorobicyclo[2.1.1]hexane-1-carboxylate (46, R = COOMe) is significant because it represents the first occasion on which the elusive 1-bicyclo[2.1.1]hexyl cation has been trapped. We have also demonstrated that synthesis of the iodides themselves can be accomplished efficiently both by Barton halodecarboxylation and by treatment of the carboxylic acid with lead tetraacetate and iodine.
• DELLA E. W.; TSANAKTSIDIS J., AUSTRAL. J. CHEM., 39,(1986) N 12, 2061-2066
  作者：DELLA E. W.、 TSANAKTSIDIS J.

  DOI：——

  日期：——
• SSAO INHIBITORS AND USES THEREOF
  申请人：METACRINE, INC.

  公开号：US20200181104A1

  公开（公告）日：2020-06-11

  Described herein are compounds that are semicarbazide-sensitive amine oxidase (SSAO) inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in treating or preventing a liver disease or condition.