2-tert-butyl-4,4-dimethyl-3-heptylisoxazolidin-5-one | 642481-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-tert-butyl-4,4-dimethyl-3-heptylisoxazolidin-5-one
• 英文别名: 2-Tert-butyl-3-heptyl-4,4-dimethyl-1,2-oxazolidin-5-one
• CAS: 642481-79-6
• 化学式: C₁₆H₃₁NO₂
• 分子量: 269.428
• InChiKey: SPAHZIUJSSAMCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4,4-dimethyl-3-heptylisoxazolidin-5-one 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 3-tert-butylamino-2,2-dimethyl-3-heptylpropanoic acid
  参考文献：
  名称：

  New Synthesis of Optically Active 5-Isoxazolidinones and β-Amino Acids

  摘要：

  A new simple and stereoselective synthesis of 5-isoxazolidinones based on the reaction of lithiated 2-isopropyl-2-oxazolines with nitrones is described. A chiral version of such a methodology allows the preparation of highly enantioenriched 5-isoxazolidinones which are useful precursors for the synthesis of beta-amino acids.

  DOI：

  10.1021/jo035356i
• 作为产物：
  描述：

  2-tert-Butyl-3-heptyl-4,4,8,8-tetramethyl-1,6-dioxa-2,9-diaza-spiro[4.4]nonane 在 水 、 三氟乙酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-tert-butyl-4,4-dimethyl-3-heptylisoxazolidin-5-one
  参考文献：
  名称：

  New Synthesis of Optically Active 5-Isoxazolidinones and β-Amino Acids

  摘要：

  A new simple and stereoselective synthesis of 5-isoxazolidinones based on the reaction of lithiated 2-isopropyl-2-oxazolines with nitrones is described. A chiral version of such a methodology allows the preparation of highly enantioenriched 5-isoxazolidinones which are useful precursors for the synthesis of beta-amino acids.

  DOI：

  10.1021/jo035356i

文献信息

• New Synthesis of Optically Active 5-Isoxazolidinones and β-Amino Acids
  作者：Renzo Luisi、Vito Capriati、Saverio Florio、Teresa Vista

  DOI：10.1021/jo035356i

  日期：2003.12.1

  A new simple and stereoselective synthesis of 5-isoxazolidinones based on the reaction of lithiated 2-isopropyl-2-oxazolines with nitrones is described. A chiral version of such a methodology allows the preparation of highly enantioenriched 5-isoxazolidinones which are useful precursors for the synthesis of beta-amino acids.