2-(methylthio)-N-phenylpentanamide | 144304-01-8

• 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: 2-(methylthio)-N-phenylpentanamide
• 英文别名: 2-methylsulfanyl-N-phenylpentanamide
• CAS: 144304-01-8
• 化学式: C₁₂H₁₇NOS
• 分子量: 223.339
• InChiKey: QGPBVNMZORULSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-Boc-苯胺 、 正丁基锂 生成 N-苯基戊烷酰胺 、 N-(1,1-二丁基戊基)苯胺 、 2-(methylthio)-N-phenylpentanamide
  参考文献：
  名称：

  Directed ortho lithiation of phenylcarbamic acid 1,1-dimethylethyl ester (N-BOC-aniline). Revision and improvements

  摘要：

  Evaluation of the results of a study, undertaken to examine the influence of the main reaction parameters (lithiation temperature, concentration, lithiating agent, and solvent) on the course of the title reaction, subsequently led to the development of an improved and more generally-applicable lithiation procedure. Hitherto unpublished stability data for solutions of t-BuLi and n-BuLi/TMEDA in diethyl ether and THF are reported for various temperatures.

  DOI：

  10.1021/jo00051a030

文献信息

• Directed ortho lithiation of phenylcarbamic acid 1,1-dimethylethyl ester (N-BOC-aniline). Revision and improvements
  作者：Peter Stanetty、Herbert Koller、Marko Mihovilovic

  DOI：10.1021/jo00051a030

  日期：1992.12

  Evaluation of the results of a study, undertaken to examine the influence of the main reaction parameters (lithiation temperature, concentration, lithiating agent, and solvent) on the course of the title reaction, subsequently led to the development of an improved and more generally-applicable lithiation procedure. Hitherto unpublished stability data for solutions of t-BuLi and n-BuLi/TMEDA in diethyl ether and THF are reported for various temperatures.