(+)-(S)-(N-3,5-dinitrobenzoyl)-3-amino-N-10-undecenyl-ε-caprolactam | 1334523-91-9

• 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: (+)-(S)-(N-3,5-dinitrobenzoyl)-3-amino-N-10-undecenyl-ε-caprolactam
• 英文别名: 3,5-dinitro-N-[(3S)-2-oxo-1-undec-10-enylazepan-3-yl]benzamide
• CAS: 1334523-91-9
• 化学式: C₂₄H₃₄N₄O₆
• 分子量: 474.557
• InChiKey: WLNQVPUHEMMPMA-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  141
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (+)-(S)-(N-3,5-dinitrobenzoyl)-3-amino-N-10-undecenyl-ε-caprolactam 在 hexachloroplatinic acid 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.17h， 生成 (+)-(S)-N-11-dimethylethoxyundecyl-(N-3,5-dinitrobenzoyl)-3-amino-ε-caprolactam
  参考文献：
  名称：

  Assessing chiral self-recognition using chiral stationary phases

  摘要：

  Chiral stationary phases were synthesized and their ability to separate racemic precursors from which they were derived was assessed. Taken in conjunction with homochiral recognition previously observed in the solid state, the results of this study reveal that a geometrically controlling pi-pi interaction has a profound influence on molecular recognition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.06.103
• 作为产物：
  描述：

  DL-氨基己内酰胺 在 sodium hydride 、 一水合肼 、 三乙胺 作用下， 以 乙醇 、 正己烷 、 二氯甲烷 、 二甲基亚砜 、 异丙醇 、 mineral oil 、 苯 为溶剂， 反应 13.83h， 生成 (+)-(S)-(N-3,5-dinitrobenzoyl)-3-amino-N-10-undecenyl-ε-caprolactam
  参考文献：
  名称：

  Assessing chiral self-recognition using chiral stationary phases

  摘要：

  Chiral stationary phases were synthesized and their ability to separate racemic precursors from which they were derived was assessed. Taken in conjunction with homochiral recognition previously observed in the solid state, the results of this study reveal that a geometrically controlling pi-pi interaction has a profound influence on molecular recognition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.06.103

文献信息

• Assessing chiral self-recognition using chiral stationary phases
  作者：Wonjae Lee、Seth E. Snyder、Phillip I. Volkers、William H. Pirkle、David A. Engebretson、William A. Boulanger、Huei-Shian Lin、Bin-Syuan Huang、James R. Carey

  DOI：10.1016/j.tet.2011.06.103

  日期：2011.9

  Chiral stationary phases were synthesized and their ability to separate racemic precursors from which they were derived was assessed. Taken in conjunction with homochiral recognition previously observed in the solid state, the results of this study reveal that a geometrically controlling pi-pi interaction has a profound influence on molecular recognition. (C) 2011 Elsevier Ltd. All rights reserved.