2-methyl-3-oxo-4-nonynoic acid ethyl ester | 1449791-53-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-methyl-3-oxo-4-nonynoic acid ethyl ester
• 英文别名: Ethyl 2-methyl-3-oxonon-4-ynoate；ethyl 2-methyl-3-oxonon-4-ynoate
• CAS: 1449791-53-0
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: PTJYPYRNOYFGFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl-3-oxo-4-nonynoic acid ethyl ester 在 甲酸 、 Noyori's catalyst 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到(2R)-methyl-(3R)-hydroxy-4-nonynoic acid ethyl ester
  参考文献：
  名称：

  Asymmetric Transfer Hydrogenation of Functionalized Acetylenic Ketones

  摘要：

  A systematic study of the asymmetric transfer hydrogenations of functionalized acetylenic ketones and diketones has been completed, together with a total synthesis of (S,S)-(-)-yashabushidiol B. In several cases, excellent enantioselectivities and yields were achieved.

  DOI：

  10.1021/jo401284c
• 作为产物：
  描述：

  3-氯-2-甲基-3-氧代丙酸乙酯 、 1-己炔 在 正丁基锂 、 三氟化硼乙醚 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.5h， 以82%的产率得到2-methyl-3-oxo-4-nonynoic acid ethyl ester
  参考文献：
  名称：

  Asymmetric Transfer Hydrogenation of Functionalized Acetylenic Ketones

  摘要：

  A systematic study of the asymmetric transfer hydrogenations of functionalized acetylenic ketones and diketones has been completed, together with a total synthesis of (S,S)-(-)-yashabushidiol B. In several cases, excellent enantioselectivities and yields were achieved.

  DOI：

  10.1021/jo401284c

文献信息

• Asymmetric Transfer Hydrogenation of Functionalized Acetylenic Ketones
  作者：Zhijia Fang、Martin Wills

  DOI：10.1021/jo401284c

  日期：2013.9.6

  A systematic study of the asymmetric transfer hydrogenations of functionalized acetylenic ketones and diketones has been completed, together with a total synthesis of (S,S)-(-)-yashabushidiol B. In several cases, excellent enantioselectivities and yields were achieved.