6-氧代-2-苯基-2-哌啶羧酸 | 167398-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 6-氧代-2-苯基-2-哌啶羧酸
• 中文别名: 2-哌啶羧酸,6-羰基-2-苯基-
• 英文名称: 6-carboxy-6-phenylpiperidin-2-one
• 英文别名: 2-Piperidinecarboxylicacid, 6-oxo-2-phenyl-；6-oxo-2-phenylpiperidine-2-carboxylic acid
• CAS: 167398-76-7
• 化学式: C₁₂H₁₃NO₃
• 分子量: 219.24
• InChiKey: JFLNHVLKRQQUNV-UHFFFAOYSA-N

物化性质

• 沸点：
  495.3±45.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-氧代-2-苯基-2-哌啶羧酸 、 8-methyl-8-azabicyclo[3.2.1]octan-3-olate sodium 在 N,N'-羰基二咪唑 作用下， 生成 6-Oxo-2-phenyl-piperidine-2-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
  参考文献：
  名称：

  New pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid esters are preferential M1, M3 muscarinic antagonists. Synthesis and bronchospasmolytic activity

  摘要：

  A series of new 3-tropanol and 3-quinuclidinol esters of phenyl-substituted pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid were synthesized and tested for antimuscarinic activity. The compounds showed a preferential in vitro activity at M(1) and M(3) receptor subtypes and an interesting activity profile in vivo. A potential use as selective bronchospasmolytic agents has been suggested for selected compounds.

  DOI：

  10.1016/0223-5234(94)90068-x
• 作为产物：
  描述：

  2-氨基-2-苯乙酸乙酯 在 盐酸 、 氢氧化钾 、 sodium hydride 、 magnesium sulfate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 49.0h， 生成 6-氧代-2-苯基-2-哌啶羧酸
  参考文献：
  名称：

  New pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid esters are preferential M1, M3 muscarinic antagonists. Synthesis and bronchospasmolytic activity

  摘要：

  A series of new 3-tropanol and 3-quinuclidinol esters of phenyl-substituted pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid were synthesized and tested for antimuscarinic activity. The compounds showed a preferential in vitro activity at M(1) and M(3) receptor subtypes and an interesting activity profile in vivo. A potential use as selective bronchospasmolytic agents has been suggested for selected compounds.

  DOI：

  10.1016/0223-5234(94)90068-x

文献信息

• New pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid esters are preferential M1, M3 muscarinic antagonists. Synthesis and bronchospasmolytic activity
  作者：E Cereda、A Ezhaya、E Bellora、GB Schiavi、A Sagrada、HN Doods、A Donetti

  DOI：10.1016/0223-5234(94)90068-x

  日期：1994.1

  A series of new 3-tropanol and 3-quinuclidinol esters of phenyl-substituted pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid were synthesized and tested for antimuscarinic activity. The compounds showed a preferential in vitro activity at M(1) and M(3) receptor subtypes and an interesting activity profile in vivo. A potential use as selective bronchospasmolytic agents has been suggested for selected compounds.