2-[1-Phenyl-eth-(E)-ylidene]-succinic acid 1-methyl ester | 24863-67-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-[1-Phenyl-eth-(E)-ylidene]-succinic acid 1-methyl ester
• 英文别名: (E)-3-methoxycarbonyl-4-phenylpent-3-enoic acid
• CAS: 24863-67-0
• 化学式: C₁₃H₁₄O₄
• 分子量: 234.252
• InChiKey: KLQLHLYZLHQIPI-PKNBQFBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-[1-Phenyl-eth-(E)-ylidene]-succinic acid 1-methyl ester 在 氯化亚砜 作用下， 反应 16.0h， 生成 dimethyl 2-[1-phenyl-(E)-ethylidene]succinate
  参考文献：
  名称：

  Design, synthesis, and evaluation of orally active inhibitors of plasminogen activator inhibitor-1 (PAI-1) production

  摘要：

  A novel series of butadiene-imide 1 (T-686) derivatives having an inhibitory activity against PAI-1 production was synthesized and evaluated their biological activities and DMPK profiles, in which 15k (T-2639) was selected as the best compound based on its strong antithrombotic activity and good bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.067
• 作为产物：
  描述：

  苯乙酮 、 丁二酸二甲酯 在 potassium tert-butylate 、 叔丁醇 作用下， 反应 1.0h， 生成 2-[1-Phenyl-eth-(E)-ylidene]-succinic acid 1-methyl ester
  参考文献：
  名称：

  Design, synthesis, and evaluation of orally active inhibitors of plasminogen activator inhibitor-1 (PAI-1) production

  摘要：

  A novel series of butadiene-imide 1 (T-686) derivatives having an inhibitory activity against PAI-1 production was synthesized and evaluated their biological activities and DMPK profiles, in which 15k (T-2639) was selected as the best compound based on its strong antithrombotic activity and good bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.067

文献信息

• A New Route to Hydrophenanthrene Ring System Involving Aryl Participated Intramolecular Cyclisation of Diazomethyl Ketones
  作者：Tapan kumar Karpha、Basudeb Basu、Debabrata Mukherjee

  DOI：10.1080/00397919208021621

  日期：1992.6

  Abstract The tricyclic enones 4 and 5 have been synthesised involving acid catalysed intramolecular cyclisation of the diazo-methyl ketones 1 and 2 respectively. The present synthesis constitutes a new route to hydrophenanthrene ring system.

  摘要 三环烯酮 4 和 5 的合成涉及重氮甲基酮 1 和 2 的酸催化分子内环化反应。本合成为氢菲环体系开辟了一条新途径。