(S)-2-[(2S,3S)-2,3-Dihydroxy-3-((S)-1-methoxycarbonyl-2,2-dimethyl-propylcarbamoyl)-propionylamino]-3,3-dimethyl-butyric acid methyl ester | 858885-02-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-2-[(2S,3S)-2,3-Dihydroxy-3-((S)-1-methoxycarbonyl-2,2-dimethyl-propylcarbamoyl)-propionylamino]-3,3-dimethyl-butyric acid methyl ester
• CAS: 858885-02-6
• 化学式: C₁₈H₃₂N₂O₈
• 分子量: 404.461
• InChiKey: YVLZLWDJGQGFTK-NNYUYHANSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.88
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  151.26
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (S)-2-[(2S,3S)-2,3-Dihydroxy-3-((S)-1-methoxycarbonyl-2,2-dimethyl-propylcarbamoyl)-propionylamino]-3,3-dimethyl-butyric acid methyl ester 在 bromoborane-dimethyl sulfide complex 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of a library of chiral α-amino acid-based borate counteranions and their application to copper catalyzed olefin cyclopropanation

  摘要：

  Twenty borate counteranions have been prepared from tartaric acid and alpha-amino acid derivatives. Ion pairing of these anions to a copper cation can be Used to induce enantioselectivity into the copper catalyzed cyclopropanation of styrene. Structural modification of the anion provides insight into the importance of each component of the counteranion in asymmetric induction. (C) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetasy.2005.04.004
• 作为产物：
  描述：

  L-叔亮氨酸甲酯盐酸盐 在 吡啶 、 三氟化硼乙醚 、 1,2-乙二硫醇 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 (S)-2-[(2S,3S)-2,3-Dihydroxy-3-((S)-1-methoxycarbonyl-2,2-dimethyl-propylcarbamoyl)-propionylamino]-3,3-dimethyl-butyric acid methyl ester
  参考文献：
  名称：

  Synthesis of a library of chiral α-amino acid-based borate counteranions and their application to copper catalyzed olefin cyclopropanation

  摘要：

  Twenty borate counteranions have been prepared from tartaric acid and alpha-amino acid derivatives. Ion pairing of these anions to a copper cation can be Used to induce enantioselectivity into the copper catalyzed cyclopropanation of styrene. Structural modification of the anion provides insight into the importance of each component of the counteranion in asymmetric induction. (C) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetasy.2005.04.004