benzyl 1-(2-tert-butoxycarbonyl-2-methyl-1-sec-butyl-hydrazyl)-carbonyloxy-2-phenylpropionate | 259093-34-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 1-(2-tert-butoxycarbonyl-2-methyl-1-sec-butyl-hydrazyl)-carbonyloxy-2-phenylpropionate
• 英文别名: benzyl (2R)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-(2-methylpropyl)carbamoyl]oxy-3-phenylpropanoate
• CAS: 259093-34-0
• 化学式: C₂₇H₃₆N₂O₆
• 分子量: 484.593
• InChiKey: LTGJCUAWAYVGTE-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  85.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl 1-(2-tert-butoxycarbonyl-2-methyl-1-sec-butyl-hydrazyl)-carbonyloxy-2-phenylpropionate 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 4.0h， 以100%的产率得到(2R)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-(2-methylpropyl)carbamoyl]oxy-3-phenylpropanoic acid
  参考文献：
  名称：

  Azadepsipeptides:  Synthesis and Evaluation of a Novel Class of Peptidomimetics

  摘要：

  A general route to azadepsipeptides, a new class of pseudopeptides, has been established. The methodology was applied to the synthesis of a bis-aza analogue of the antiparasitic cyclooctadepsipeptide PF1022A. Comparison of the X-ray crystal structures of natural PF1022A (8) and the chimeric aza analogue 9 revealed that the introduction of nitrogen in the backbone of PF1022A results in almost complete conservation of the 3D structure with only minor deviations at the new nitrogen positions.

  DOI：

  10.1021/jo001749v
• 作为产物：
  描述：

  1-Boc-1-甲基肼 在 sodium cyanoborohydride 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 异丙醇 为溶剂， 反应 12.0h， 生成 benzyl 1-(2-tert-butoxycarbonyl-2-methyl-1-sec-butyl-hydrazyl)-carbonyloxy-2-phenylpropionate
  参考文献：
  名称：

  Azadepsipeptides:  Synthesis and Evaluation of a Novel Class of Peptidomimetics

  摘要：

  A general route to azadepsipeptides, a new class of pseudopeptides, has been established. The methodology was applied to the synthesis of a bis-aza analogue of the antiparasitic cyclooctadepsipeptide PF1022A. Comparison of the X-ray crystal structures of natural PF1022A (8) and the chimeric aza analogue 9 revealed that the introduction of nitrogen in the backbone of PF1022A results in almost complete conservation of the 3D structure with only minor deviations at the new nitrogen positions.

  DOI：

  10.1021/jo001749v

文献信息

• 1,3,4-oxadiazine derivatives and their use as pesticides
  申请人：Bayer Aktiengesellschaft

  公开号：US06342599B1

  公开（公告）日：2002-01-29

  The invention relates to a novel process of preparing (1,3,4)-oxadiazine derivatives of formula (I) and to their usefulness as pesticides in particular as anthelminticides, insecticides, acaricides, and nematicides.

  该发明涉及一种新型制备(1,3,4)-噁二嗪衍生物的过程，其化学式为(I)，并且这些衍生物在特定情况下作为杀虫剂，尤其是驱虫剂、杀虫剂、杀螨剂和线虫杀剂方面具有用途。
• Azadepsipeptides:  Synthesis and Evaluation of a Novel Class of Peptidomimetics
  作者：Hubert Dyker、Jürgen Scherkenbeck、Daniel Gondol、Axel Goehrt、Achim Harder

  DOI：10.1021/jo001749v

  日期：2001.6.1

  A general route to azadepsipeptides, a new class of pseudopeptides, has been established. The methodology was applied to the synthesis of a bis-aza analogue of the antiparasitic cyclooctadepsipeptide PF1022A. Comparison of the X-ray crystal structures of natural PF1022A (8) and the chimeric aza analogue 9 revealed that the introduction of nitrogen in the backbone of PF1022A results in almost complete conservation of the 3D structure with only minor deviations at the new nitrogen positions.