(2-Benzyl-isoxazolidin-3-yl)-acetic acid ethyl ester | 204575-70-2

• 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-Benzyl-isoxazolidin-3-yl)-acetic acid ethyl ester
• 英文别名: Ethyl 2-(2-benzyl-1,2-oxazolidin-3-yl)acetate
• CAS: 204575-70-2
• 化学式: C₁₄H₁₉NO₃
• 分子量: 249.31
• InChiKey: AXEXXOXADKYJJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-Benzyl-isoxazolidin-3-yl)-acetic acid ethyl ester 在 palladium dihydroxide 氢气 、 三乙胺 、 lithium hexamethyldisilazane 作用下， 以 甲醇 、 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 反应 38.5h， 生成 (2S,3S)-3-Amino-5-(tert-butyl-diphenyl-silanyloxy)-2-ethyl-pentanoic acid ethyl ester
  参考文献：
  名称：

  Hemiaminal generated by hydration of ketone-based nitrone as an N,O-centered nucleophile in organic synthesis

  摘要：

  Isoxazolidines that are useful precursors for beta-amino acids have been prepared relying on intermolecular amino Michael addition-intramolecular S(N)2 displacement employing hydroxylamine or hydrate of ketone-based nitrone as an N- and O-centered binucleophile. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00008-8
• 作为产物：
  描述：

  ethyl (E)-5-(tosyloxy)pent-2-enoate 以 四氢呋喃 、 丙酮 为溶剂， 反应 7.0h， 生成 (2-Benzyl-isoxazolidin-3-yl)-acetic acid ethyl ester
  参考文献：
  名称：

  Hemiaminal generated by hydration of ketone-based nitrone as an N,O-centered nucleophile in organic synthesis

  摘要：

  Isoxazolidines that are useful precursors for beta-amino acids have been prepared relying on intermolecular amino Michael addition-intramolecular S(N)2 displacement employing hydroxylamine or hydrate of ketone-based nitrone as an N- and O-centered binucleophile. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00008-8

文献信息

• Hemiaminal generated by hydration of ketone-based nitrone as an N,O-centered nucleophile in organic synthesis
  作者：Teruhiko Ishikawa、Keita Nagai、Mami Senzaki、Akiko Tatsukawa、Seiki Saito

  DOI：10.1016/s0040-4020(98)00008-8

  日期：1998.3

  Isoxazolidines that are useful precursors for beta-amino acids have been prepared relying on intermolecular amino Michael addition-intramolecular S(N)2 displacement employing hydroxylamine or hydrate of ketone-based nitrone as an N- and O-centered binucleophile. (C) 1998 Elsevier Science Ltd. All rights reserved.