(2S,4S)-4-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid | 168264-17-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,4S)-4-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
• CAS: 168264-17-3
• 化学式: C₂₂H₂₅N₃O₇
• 分子量: 443.456
• InChiKey: ZJRGXGGFYNZSIJ-HOTGVXAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2S,4S)-4-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid 在 palladium on activated charcoal 氨 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of new building blocks for peptide nucleic acids containing monomers with variations in the backbone

  摘要：

  New PNA monomers containing aminoprolines or pyrrolidines as backbones have been synthesized. Oligomerisation was carried out on a solid support. Resistance to enzymatic degradation was tested. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00079-6
• 作为产物：
  描述：

  N-3-benzoylthymine 在 sodium hydroxide 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 生成 (2S,4S)-4-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
  参考文献：
  名称：

  Synthesis of new building blocks for peptide nucleic acids containing monomers with variations in the backbone

  摘要：

  New PNA monomers containing aminoprolines or pyrrolidines as backbones have been synthesized. Oligomerisation was carried out on a solid support. Resistance to enzymatic degradation was tested. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00079-6

文献信息

• Synthesis of new building blocks for peptide nucleic acids containing monomers with variations in the backbone
  作者：Stephan Jordan、Christoph Schwemler、Winfried Kosch、Axel Kretschmer、Eckhardt Schwenner、Udo Stropp、Burkhard Mielke

  DOI：10.1016/s0960-894x(97)00079-6

  日期：1997.3

  New PNA monomers containing aminoprolines or pyrrolidines as backbones have been synthesized. Oligomerisation was carried out on a solid support. Resistance to enzymatic degradation was tested. (C) 1997 Elsevier Science Ltd.