[4-(4-Chlorophenyl)-4-oxobutanoyl] 4-(4-chlorophenyl)-4-oxobutanoate | 64081-77-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4-(4-Chlorophenyl)-4-oxobutanoyl] 4-(4-chlorophenyl)-4-oxobutanoate
• 英文别名: [4-(4-chlorophenyl)-4-oxobutanoyl] 4-(4-chlorophenyl)-4-oxobutanoate
• CAS: 64081-77-2
• 化学式: C₂₀H₁₆Cl₂O₅
• 分子量: 407.25
• InChiKey: GEJQIDAXYHVRJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [4-(4-Chlorophenyl)-4-oxobutanoyl] 4-(4-chlorophenyl)-4-oxobutanoate 、 FMOC-Β-环己基-L-丙氨酸 、 丙二酸钠 生成
  参考文献：
  名称：

  Combinatorial modification of natural products: Preparation of unencoded and encoded libraries of Rauwolfia alkaloids

  摘要：

  We report the preparation of combinatorial libraries which consist of derivatives of the stereoisomeric alkaloids yohimbine and rauwolscine-members of the Rauwolfia genus. The chemistry was performed on solid support using the divide- and-pool method, and involved the derivatization of the E-ring carboxylates and hydroxyls of these alkaloids with 36 amino acids and 22 carboxylic acids, respectively, to afford 792 bifunctionalized derivatives. The rauwolscine library was prepared using an encoding strategy in which the identity of each incorporated amino acid was recorded by cosynthesizing chemically inert tags prior to the pooling step. The general strategy for library synthesis exploits existing functionality present on the natural products, and should be applicable to other families of secondary metabolites. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00093-4
• 作为产物：
  描述：

  3-(4-氯苯甲酰)丙酸 在 达卡巴嗪 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 [4-(4-Chlorophenyl)-4-oxobutanoyl] 4-(4-chlorophenyl)-4-oxobutanoate
  参考文献：
  名称：

  Combinatorial modification of natural products: Preparation of unencoded and encoded libraries of Rauwolfia alkaloids

  摘要：

  We report the preparation of combinatorial libraries which consist of derivatives of the stereoisomeric alkaloids yohimbine and rauwolscine-members of the Rauwolfia genus. The chemistry was performed on solid support using the divide- and-pool method, and involved the derivatization of the E-ring carboxylates and hydroxyls of these alkaloids with 36 amino acids and 22 carboxylic acids, respectively, to afford 792 bifunctionalized derivatives. The rauwolscine library was prepared using an encoding strategy in which the identity of each incorporated amino acid was recorded by cosynthesizing chemically inert tags prior to the pooling step. The general strategy for library synthesis exploits existing functionality present on the natural products, and should be applicable to other families of secondary metabolites. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00093-4

文献信息

• Combinatorial modification of natural products: Preparation of unencoded and encoded libraries of Rauwolfia alkaloids
  作者：Andy Atuegbu、Derek Maclean、Cindy Nguyen、Eric M. Gordon、Jeffrey W. Jacobs

  DOI：10.1016/0968-0896(96)00093-4

  日期：1996.7

  We report the preparation of combinatorial libraries which consist of derivatives of the stereoisomeric alkaloids yohimbine and rauwolscine-members of the Rauwolfia genus. The chemistry was performed on solid support using the divide- and-pool method, and involved the derivatization of the E-ring carboxylates and hydroxyls of these alkaloids with 36 amino acids and 22 carboxylic acids, respectively, to afford 792 bifunctionalized derivatives. The rauwolscine library was prepared using an encoding strategy in which the identity of each incorporated amino acid was recorded by cosynthesizing chemically inert tags prior to the pooling step. The general strategy for library synthesis exploits existing functionality present on the natural products, and should be applicable to other families of secondary metabolites. Copyright (C) 1996 Elsevier Science Ltd