(E)-2-pyridylmethyl 2-methylhex-2-enoate

• 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: (E)-2-pyridylmethyl 2-methylhex-2-enoate
• 英文别名: pyridin-2-ylmethyl (E)-2-methylhex-2-enoate
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: KDWCNRQHXPIFAM-YRNVUSSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-已炔 、 2-吡啶基甲基甲酸酯 在 十二羰基三钌 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 生成 (E)-2-pyridylmethyl 2-methylhex-2-enoate 、 (E)-2-pyridylmethyl 2-ethylidenepentanoate
  参考文献：
  名称：

  Ruthenium-catalyzed hydroesterification of alkynes and dienes based on a chelation-approach

  摘要：

  Based on a chelation-assistance strategy, efficient hydroesterification of alkynes and dienes has been achieved using ruthenium catalyst Without the need of high pressuric external CO atmosphere, and a diverse range of alpha,beta-unsaturated esters and mono-olefinic esters could be obtained with high stereo- and regioselectivity. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01016-5

文献信息

• Ruthenium-catalyzed hydroesterification of alkynes and dienes based on a chelation-approach
  作者：Youngim Na、Sangwon Ko、Lee Kyoung Hwang、Sukbok Chang

  DOI：10.1016/s0040-4039(03)01016-5

  日期：2003.6

  Based on a chelation-assistance strategy, efficient hydroesterification of alkynes and dienes has been achieved using ruthenium catalyst Without the need of high pressuric external CO atmosphere, and a diverse range of alpha,beta-unsaturated esters and mono-olefinic esters could be obtained with high stereo- and regioselectivity. (C) 2003 Elsevier Science Ltd. All rights reserved.
• Halide Ions as a Highly Efficient Promoter in the Ru-Catalyzed Hydroesterification of Alkenes and Alkynes
  作者：Eun Ju Park、Ji Min Lee、Hoon Han、Sukbok Chang

  DOI：10.1021/ol061753e

  日期：2006.9

  The presence of catalytic amounts of halide salts was found to enhance dramatically the reaction efficiency in the Ru-catalyzed hydroesterification of alkenes and alkynes using a chelating 2-pyridylmethyl formate by lowering the reaction temperature. On the basis of IR and NMR studies, the halide effect on the reaction is mainly attributed to the facile dissociation of the trirutheniumcarbonyl precursor into the presumed active metal species. With this milder condition, the substrate scope has been significantly broadened.