Pentamethylmandelic acid | 867133-56-0

• 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: Pentamethylmandelic acid
• 英文别名: 2,3,4,5,6-pentamethyl-mandelic acid；(+/-)-Hydroxy-(pentamethyl-phenyl)-essigsaeure；2,3,4,5,6-Pentamethyl-mandelsaeure；2-Hydroxy-2-(2,3,4,5,6-pentamethylphenyl)acetic acid
• CAS: 867133-56-0
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: YIABKBSNTYCKJB-UHFFFAOYSA-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：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Pentamethylmandelic acid 在 吡啶 、 氯化亚砜 、 硫酸 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 反应 1.5h， 生成 丁一酮,二(戊甲基苯基)-
  参考文献：
  名称：

  Relatively stable N-benzhydryl- and N-benzyldiarylketene imines and their conversion to cyanodiarylmethanes via an isolable radical

  摘要：

  An efficient synthetic route to the sterically hindered ketene imines N-benzyl- and N-benzylhydrylbis(pentamethylphenyl)ketene imines 8 from dipentamethylphenyl ketene 6 is described. The thermal stability of these ketene imines is in marked contrast to the diphenylketene imine analogues which rearrange rapidly to C-tri-substituted nitriles. On heating 8b is converted to the relatively stable free radical 13 which can be reduced to the nitrile 10 in a variety of solvents. These radicals are proposed intermediates in the ketene imine-nitrile rearrangement, and the mechanism of this reaction is considered in in terms of these results.

  DOI：

  10.1021/jo00027a062
• 作为产物：
  描述：

  五甲基苯 、 酮基丙二酸二乙酯 在 氯仿 、 四氯化锡 作用下， 生成 Pentamethylmandelic acid
  参考文献：
  名称：

  Riebsomer et al., Journal of the American Chemical Society, 1938, vol. 60, p. 2975

  摘要：

  DOI：

文献信息

• Phosphatidylcholine Transfer Protein Inhibitors
  申请人：Cohen David

  公开号：US20120264756A1

  公开（公告）日：2012-10-18

  This invention relates to compounds of Formulas I, II, and III, and their use as inhibitors of phosphatidylcholine transfer protein (PC-TP). The invention further relates to pharmaceutical compositions and methods of treatment of disorders related to the inhibition of PC-TP using the compounds of Formulas I, II, and III. Such disorders include obesity and disorders associated with obesity.
• US9126938B2
  申请人：——

  公开号：US9126938B2

  公开（公告）日：2015-09-08
• US9556129B2
  申请人：——

  公开号：US9556129B2

  公开（公告）日：2017-01-31
• Relatively stable N-benzhydryl- and N-benzyldiarylketene imines and their conversion to cyanodiarylmethanes via an isolable radical
  作者：Leo F. Clarke、Anthony F. Hegarty、Pat O'Neill

  DOI：10.1021/jo00027a062

  日期：1992.1

  An efficient synthetic route to the sterically hindered ketene imines N-benzyl- and N-benzylhydrylbis(pentamethylphenyl)ketene imines 8 from dipentamethylphenyl ketene 6 is described. The thermal stability of these ketene imines is in marked contrast to the diphenylketene imine analogues which rearrange rapidly to C-tri-substituted nitriles. On heating 8b is converted to the relatively stable free radical 13 which can be reduced to the nitrile 10 in a variety of solvents. These radicals are proposed intermediates in the ketene imine-nitrile rearrangement, and the mechanism of this reaction is considered in in terms of these results.
• Riebsomer et al., Journal of the American Chemical Society, 1938, vol. 60, p. 2975
  作者：Riebsomer et al.

  DOI：——

  日期：——