(S)-2-(2-(1,3-dioxolan-2-yl)ethyl)-2-nitrocyclohexanone | 1428236-74-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: (S)-2-(2-(1,3-dioxolan-2-yl)ethyl)-2-nitrocyclohexanone
• 英文别名: (2S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-2-nitrocyclohexan-1-one
• CAS: 1428236-74-1
• 化学式: C₁₁H₁₇NO₅
• 分子量: 243.26
• InChiKey: AMOVECNOOJJVPP-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-硝基环己酮 在 对甲苯磺酸 作用下， 以 水 为溶剂， 反应 24.0h， 生成 (R)-2-(2-(1,3-dioxolan-2-yl)ethyl)-2-nitrocyclohexanone 、 (S)-2-(2-(1,3-dioxolan-2-yl)ethyl)-2-nitrocyclohexanone
  参考文献：
  名称：

  Organocatalytic enantioselective conjugate addition of 2-nitrocyclohexanone to acrylaldehyde: a concise two-step synthesis of chiral building block 1-azaspiro[4.5]decan-6-one

  摘要：

  A gram-scale organocatalytic enantioselective Michael addition of alpha-nitrocyclohexanone to acrolein has been developed, and it was successfully applied to a concise two-step synthesis of (1S)-azaspiro[4.5] decan-6-one, a useful chiral building block for the synthesis of a variety of natural alkaloids. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.114

文献信息

• Organocatalytic enantioselective conjugate addition of 2-nitrocyclohexanone to acrylaldehyde: a concise two-step synthesis of chiral building block 1-azaspiro[4.5]decan-6-one
  作者：Xiao-Hua Ding、Wei-Chen Cui、Xiang Li、Xuan Ju、Dan Liu、Shaozhong Wang、Zhu-Jun Yao

  DOI：10.1016/j.tetlet.2013.01.114

  日期：2013.4

  A gram-scale organocatalytic enantioselective Michael addition of alpha-nitrocyclohexanone to acrolein has been developed, and it was successfully applied to a concise two-step synthesis of (1S)-azaspiro[4.5] decan-6-one, a useful chiral building block for the synthesis of a variety of natural alkaloids. (C) 2013 Elsevier Ltd. All rights reserved.