Carbonic acid (S)-1-cyano-1-methyl-hexyl ester ethyl ester | 917973-25-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: Carbonic acid (S)-1-cyano-1-methyl-hexyl ester ethyl ester
• 英文别名: (2S)-2-Cyanoheptan-2-yl ethyl carbonate；[(2S)-2-cyanoheptan-2-yl] ethyl carbonate
• CAS: 917973-25-2
• 化学式: C₁₁H₁₉NO₃
• 分子量: 213.277
• InChiKey: NBFUGIPERWFYBT-NSHDSACASA-N

物化性质

• 沸点：
  284.8±23.0 °C(Predicted)
• 密度：
  0.999±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-庚酮 、 氰基甲酸乙酯 在 (DHQ)2AQN 作用下， 以 氯仿 为溶剂， 反应 144.0h， 生成 Carbonic acid (S)-1-cyano-1-methyl-hexyl ester ethyl ester 、
  参考文献：
  名称：

  Enantioselective cyanocarbonation of ketones with chiral base

  摘要：

  A highly enantioselective cyanocarbonation of dialkyl ketones catalyzed by commercially available and easily recyclable cinchona alkaloid derivatives has been developed. The reaction provides a useful approach for the enantioselective construction of tetrasubstituted carbon stereocenters. Mechanistic studies have been carried out to shed light on the origin of the catalytic activity of the cinchona alkaloid and the asymmetric induction step. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.06.077

文献信息

• Enantioselective cyanocarbonation of ketones with chiral base
  作者：Shi-Kai Tian、Li Deng

  DOI：10.1016/j.tet.2006.06.077

  日期：2006.12

  A highly enantioselective cyanocarbonation of dialkyl ketones catalyzed by commercially available and easily recyclable cinchona alkaloid derivatives has been developed. The reaction provides a useful approach for the enantioselective construction of tetrasubstituted carbon stereocenters. Mechanistic studies have been carried out to shed light on the origin of the catalytic activity of the cinchona alkaloid and the asymmetric induction step. (c) 2006 Elsevier Ltd. All rights reserved.