(+/-) 5-Methyl-6 phenyl hexanoic Acid | 29478-73-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+/-) 5-Methyl-6 phenyl hexanoic Acid
• 英文别名: 5-Methyl-6-phenylhexanoic acid；5-methyl-6-phenylhexanoic acid
• CAS: 29478-73-7
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: YFOWSWBHIQYLFC-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：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-) 5-Methyl-6 phenyl hexanoic Acid 生成 (+-)-4-Methyl-5-phenylpentylisocyanate
  参考文献：
  名称：

  Terashima,S. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 1124 - 1136

  摘要：

  DOI：
• 作为产物：
  描述：

  (+-) Methyl 5 methyl-6 phenyl hexanoate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 (+/-) 5-Methyl-6 phenyl hexanoic Acid
  参考文献：
  名称：

  Terashima,S. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 1124 - 1136

  摘要：

  DOI：

文献信息

• Ketyl-Type Radicals from Cyclic and Acyclic Esters are Stabilized by SmI₂(H₂O)_<i>n</i>: The Role of SmI₂(H₂O)_<i>n</i> in Post-Electron Transfer Steps
  作者：Michal Szostak、Malcolm Spain、David J. Procter

  DOI：10.1021/ja503494b

  日期：2014.6.11

  Mechanistic details pertaining to the SmI2-H2O-mediated reduction and reductive coupling of 6-membered lactones, the first class of simple unactivated carboxylic acid derivatives that had long been thought to lie outside the reducing range of SmI2, have been elucidated. Our results provide new experimental evidence that water enables the productive electron transfer from Sm(II) by stabilization of the radical anion intermediate rather than by solely promoting the first electron transfer as originally proposed. Notably, these studies suggest that all reactions involving the generation of ketyl-type radicals with SmI2 occur under a unified mechanism based on the thermodynamic control of the second electron transfer step, thus providing a blueprint for the development of a broad range of novel chemoselective transformations via open-shell electron pathways.
• Terashima,S. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 1124 - 1136
  作者：Terashima,S. et al.

  DOI：——

  日期：——