3,3-Di-p-tolyl-3-carboxy-propionsaeure-aethyl-ester | 94757-41-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,3-Di-p-tolyl-3-carboxy-propionsaeure-aethyl-ester
• 英文别名: 4-Ethoxy-2,2-bis(4-methylphenyl)-4-oxobutanoic acid；4-ethoxy-2,2-bis(4-methylphenyl)-4-oxobutanoic acid
• CAS: 94757-41-2
• 化学式: C₂₀H₂₂O₄
• 分子量: 326.392
• InChiKey: MVNYFINCOXJPFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  3,3-Di-p-tolyl-3-carboxy-propionsaeure-aethyl-ester 在 碳酸氢钠 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-propyl]-4-o-tolyl-piperidine-4-carbonitrile
  参考文献：
  名称：

  Cyclic imides as potent and selective α-1A adrenergic receptor antagonists

  摘要：

  We disclose a new compound class of potent and selective alpha -1A adrenergic receptor antagonists exemplified by the geminally, disubstituted cyclic imide 7. The optimization of lead compounds resulting in the cyclic imide motif is highlighted. The results of in vitro and in vivo studies of selected compounds are presented. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00320-1
• 作为产物：
  描述：

  二(对甲苯基)乙酸 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 lithium hexamethyldisilazane 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 3,3-Di-p-tolyl-3-carboxy-propionsaeure-aethyl-ester
  参考文献：
  名称：

  Cyclic imides as potent and selective α-1A adrenergic receptor antagonists

  摘要：

  We disclose a new compound class of potent and selective alpha -1A adrenergic receptor antagonists exemplified by the geminally, disubstituted cyclic imide 7. The optimization of lead compounds resulting in the cyclic imide motif is highlighted. The results of in vitro and in vivo studies of selected compounds are presented. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00320-1

文献信息

• Cyclic imides as potent and selective α-1A adrenergic receptor antagonists
  作者：Robert M DiPardo、Michael A Patane、Randall C Newton、RoseAnn Price、Theodore P Broten、Raymond S.L Chang、Richard W Ransom、Jerry Di Salvo、Roger M Freidinger、Mark G Bock

  DOI：10.1016/s0960-894x(01)00320-1

  日期：2001.7

  We disclose a new compound class of potent and selective alpha -1A adrenergic receptor antagonists exemplified by the geminally, disubstituted cyclic imide 7. The optimization of lead compounds resulting in the cyclic imide motif is highlighted. The results of in vitro and in vivo studies of selected compounds are presented. (C) 2001 Elsevier Science Ltd. All rights reserved.