methyl 8-(N,N-dimethylamino)octanoate | 950577-50-1

• 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: methyl 8-(N,N-dimethylamino)octanoate
• 英文别名: 8-dimethylaminooctanoic acid；Methyl 8-(dimethylamino)octanoate；methyl 8-(dimethylamino)octanoate
• CAS: 950577-50-1
• 化学式: C₁₁H₂₃NO₂
• 分子量: 201.309
• InChiKey: SAIKEVCJCJKLTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N,N-dimethyl-7-carbomethoxyheptanamide 在 (μ₃;η²;η³;η⁵-acenaphthylene)Ru3(CO)7 二甲基苯基硅烷 作用下， 以 苯 为溶剂， 反应 1.5h， 以91%的产率得到methyl 8-(N,N-dimethylamino)octanoate
  参考文献：
  名称：

  分子催化剂的官能团选择性中毒：钌簇催化的高度酰胺选择性硅烷还原反应，不影响酮或酯。

  摘要：

  胺的添加消除了三钌簇在酮和酯的氢硅烷还原中的催化活性，而不会影响酰胺的还原速率。选择性还原了酰胺基酮和酰胺基酯中的酰胺基。

  DOI：

  10.1039/b711743d

文献信息

• Kinetic and molecular orbital analyses of dicarboxylic acylcarnitine methylesterification show that derivatization may affect the screening of newborns by tandem mass spectrometry
  作者：Yasuhiro Maeda、Yoko Nakajima、Kana Gotoh、Yuji Hotta、Tomoya Kataoka、Naruji Sugiyama、Naohiro Shirai、Tetsuya Ito、Kazunori Kimura

  DOI：10.1016/j.bmcl.2015.11.016

  日期：2016.1

  Newborns are routinely screened for organic acidemias by acylcarnitine analysis. We previously reported the partial catalytic methylesterification of dicarboxylic acylcarnitines by benzenesulfonic acid moiety in the solid extraction cartridge during extraction from serum. Since the diagnosis of organic acidemias by tandem mass spectrometry is affected by the higher molecular weight of these derivatized acylcarnitines, we investigated the methylesterification conditions. The kinetic constants for the methylesterification of carboxyl groups on the acyl and carnitine sides of carnitine were 2.5 and 0.24 h (1), respectively. The physical basis underlying this difference in methylesterification rates was clarified theoretically, illustrating that methylesterification during extraction proceeds easily and must be prevented. (C) 2015 Elsevier Ltd. All rights reserved.
• US9580711B2
  申请人：——

  公开号：US9580711B2

  公开（公告）日：2017-02-28
• Functional group-selective poisoning of molecular catalysts: a ruthenium cluster-catalysed highly amide-selective silane reduction that does not affect ketones or esters
  作者：Hidehiro Sasakuma、Yukihiro Motoyama、Hideo Nagashima

  DOI：10.1039/b711743d

  日期：——

  The addition of amines eliminates the catalytic activity of a triruthenium cluster in the hydrosilane reduction of ketones and esters without affecting the rate of reduction of amides; selective reduction of the amide group in amido ketones and amido esters is accomplished.

  胺的添加消除了三钌簇在酮和酯的氢硅烷还原中的催化活性，而不会影响酰胺的还原速率。选择性还原了酰胺基酮和酰胺基酯中的酰胺基。