[(S)-1-(3,4-二甲氧基苯基)乙基]氨基甲酸甲酯 | 1010385-47-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [(S)-1-(3,4-二甲氧基苯基)乙基]氨基甲酸甲酯
• 英文名称: [(S)-1-(3,4-dimethoxyphenyl)ethyl]carbamic acid methyl ester
• CAS: 1010385-47-3
• 化学式: C₁₂H₁₇NO₄
• 分子量: 239.271
• InChiKey: ABSJGTFPSGFYRN-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.12
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  56.79
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [(S)-1-(3,4-二甲氧基苯基)乙基]氨基甲酸甲酯 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到[(S)-1-(3,4-二甲氧基苯基)乙基]甲基氨基甲酸甲酯
  参考文献：
  名称：

  Alternative and complementary approaches to the asymmetric synthesis of C3 substituted NH free or N-substituted isoindolin-1-ones

  摘要：

  Complementary synthetic approaches to enantiomerically pure C3 alkylated or arylated NH free or N-substituted isoindolinones have been developed. The key step is elaboration of diversely substituted 2-alkyl- and arylbenzylamines, which can be submitted to a bis-metallation process followed by interception with a carbonylating agent. They can be also converted into N-alkylbromobenzyl-carbamates or into bromobenzyldicarbamates and the assembly of the titled compounds can be readily ensured by reliance upon the Parham cyclization process. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.11.014
• 作为产物：
  描述：

  氯甲酸甲酯 、 (S)-1-(3,4-二甲氧基苯基)乙胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以89%的产率得到[(S)-1-(3,4-二甲氧基苯基)乙基]氨基甲酸甲酯
  参考文献：
  名称：

  Alternative and complementary approaches to the asymmetric synthesis of C3 substituted NH free or N-substituted isoindolin-1-ones

  摘要：

  Complementary synthetic approaches to enantiomerically pure C3 alkylated or arylated NH free or N-substituted isoindolinones have been developed. The key step is elaboration of diversely substituted 2-alkyl- and arylbenzylamines, which can be submitted to a bis-metallation process followed by interception with a carbonylating agent. They can be also converted into N-alkylbromobenzyl-carbamates or into bromobenzyldicarbamates and the assembly of the titled compounds can be readily ensured by reliance upon the Parham cyclization process. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.11.014