pyridin-2-ylmethyl 7-phenyl-5-(2,2,2-trifluoroacetamido)heptanoate | 1516795-22-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: pyridin-2-ylmethyl 7-phenyl-5-(2,2,2-trifluoroacetamido)heptanoate
• 英文别名: Pyridin-2-ylmethyl 7-phenyl-5-[(2,2,2-trifluoroacetyl)amino]heptanoate；pyridin-2-ylmethyl 7-phenyl-5-[(2,2,2-trifluoroacetyl)amino]heptanoate
• CAS: 1516795-22-4
• 化学式: C₂₁H₂₃F₃N₂O₃
• 分子量: 408.42
• InChiKey: XHIWJSJXZANHNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-methyl-N-(1-phenylhex-4-yn-3-yl)propane-2-sulfinamide 在 盐酸 、 十二羰基三钌 、 氢气 、 四丁基碘化铵 、 溶剂黄146 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 为溶剂， 75.0 ℃ 、101.33 kPa 条件下， 反应 53.0h， 生成 pyridin-2-ylmethyl 7-phenyl-5-(2,2,2-trifluoroacetamido)heptanoate 、 pyridin-2-ylmethyl 2-methyl-6-phenyl-4-(2,2,2-trifluoroacetamido)hexanoate
  参考文献：
  名称：

  Autotandem Catalysis with Ruthenium: Remote Hydroesterification of Allylic Amides

  摘要：

  A one-pot tandem sequence involving olefin isomerization and hydroesterification has been developed that enables the incorporation of a C-1-unit at the remote terminal position of allylic amides. Key observations suggest that generation of an active ruthenium hydride, formed by addition of acetic acid, allows both processes to take place under mild conditions in an autotandem catalytic, cascading fashion, which is characterized by the use of a single catalytic entity capable of promoting multiple distinct steps without operator intervention.

  DOI：

  10.1021/ol4034463

文献信息

• Autotandem Catalysis with Ruthenium: Remote Hydroesterification of Allylic Amides
  作者：Nicolas Armanino、Marc Lafrance、Erick M. Carreira

  DOI：10.1021/ol4034463

  日期：2014.1.17

  A one-pot tandem sequence involving olefin isomerization and hydroesterification has been developed that enables the incorporation of a C-1-unit at the remote terminal position of allylic amides. Key observations suggest that generation of an active ruthenium hydride, formed by addition of acetic acid, allows both processes to take place under mild conditions in an autotandem catalytic, cascading fashion, which is characterized by the use of a single catalytic entity capable of promoting multiple distinct steps without operator intervention.