(S)-1-benzyl-4-(1'-hydroxy-3'-methylbutan-2'-yl)-1,4-diazepan-5-one

• 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: (S)-1-benzyl-4-(1'-hydroxy-3'-methylbutan-2'-yl)-1,4-diazepan-5-one
• 英文别名: 1-benzyl-4-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,4-diazepan-5-one
• 化学式: C₁₇H₂₆N₂O₂
• 分子量: 290.406
• InChiKey: UEYNZHIEVDJZKP-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  L-缬氨酸 在 4-二甲氨基吡啶 、 锂硼氢 、 三甲基氯硅烷 、 三氟甲磺酸 、 triflic azide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 38.0h， 生成 (S)-1-benzyl-4-(1'-hydroxy-3'-methylbutan-2'-yl)-1,4-diazepan-5-one
  参考文献：
  名称：

  Modular Synthesis of Cyclic Peptidomimetics Inspired by γ-Turns

  摘要：

  A series of peptidomimetics based on a gamma-turn motif were synthesized using a modular approach, in which N-protected piperidones were reacted with a selection of 2-hydroxyalkyl azides derived from common L-amino acids. Hydrolysis of the initially formed iminium ethers afforded the targeted series of substituted 1,4-diazepin-5-ones.

  DOI：

  10.1021/ol047323a

文献信息

• Modular Synthesis of Cyclic Peptidomimetics Inspired by γ-Turns
  作者：Senthil Kumar Ramanathan、John Keeler、Huey-Lih Lee、D. Srinavasa Reddy、Gerald Lushington、Jeffrey Aubé

  DOI：10.1021/ol047323a

  日期：2005.3.1

  A series of peptidomimetics based on a gamma-turn motif were synthesized using a modular approach, in which N-protected piperidones were reacted with a selection of 2-hydroxyalkyl azides derived from common L-amino acids. Hydrolysis of the initially formed iminium ethers afforded the targeted series of substituted 1,4-diazepin-5-ones.