methyl 2-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylate | 1388843-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 2-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylate
• CAS: 1388843-64-8
• 化学式: C₁₃H₁₆ClNO₂
• 分子量: 253.729
• InChiKey: ROWFNFCUKRXGJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  39.19
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl 2-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylate 在 间氯过氧苯甲酸 作用下， 以 苯 为溶剂， 反应 48.0h， 以72%的产率得到2-chloro-4-(methoxycarbonyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine 1-oxide
  参考文献：
  名称：

  Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents

  摘要：

  A series of fused and functionalized pyridine derivatives were designed, synthesized and tested for their potential antitubercular properties. All these novel compounds were prepared by using multistep methods involving the construction of pyridine ring as a key synthetic step. Some of these compounds were found to be interesting when tested for their antitubercular properties in vitro and one of them appeared as an attractive and potential antitubercular agent. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.096
• 作为产物：
  描述：

  2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-4-carboxylic acid 在 三氯氧磷 作用下， 反应 42.0h， 生成 methyl 2-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylate
  参考文献：
  名称：

  Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents

  摘要：

  A series of fused and functionalized pyridine derivatives were designed, synthesized and tested for their potential antitubercular properties. All these novel compounds were prepared by using multistep methods involving the construction of pyridine ring as a key synthetic step. Some of these compounds were found to be interesting when tested for their antitubercular properties in vitro and one of them appeared as an attractive and potential antitubercular agent. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.096