(R)-4-(Benzhydrylidene-amino)-5-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01,5]dec-4-yl)-2-methylene-5-oxo-pentanoic acid ethyl ester | 212139-60-1

• 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: (R)-4-(Benzhydrylidene-amino)-5-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01,5]dec-4-yl)-2-methylene-5-oxo-pentanoic acid ethyl ester
• 英文别名: (R)-4-(Benzhydrylidene-amino)-5-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-2-methylene-5-oxo-pentanoic acid ethyl ester
• CAS: 212139-60-1
• 化学式: C₃₁H₃₆N₂O₅S
• 分子量: 548.703
• InChiKey: SZBKFAKWFJMXBO-XZSHTLEFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  39.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  93.11
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-4-(Benzhydrylidene-amino)-5-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01,5]dec-4-yl)-2-methylene-5-oxo-pentanoic acid ethyl ester 在 柠檬酸 作用下， 以 乙醚 为溶剂， 以85%的产率得到(R)-4-Amino-5-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-2-methylene-5-oxo-pentanoic acid ethyl ester
  参考文献：
  名称：

  Highly diastereoselective monoalkylation and Michael addition of N-(diphenylmethylene)glycinesultam under solid–liquid phase-transfer catalysis conditions using potassium carbonate as base

  摘要：

  Treatment of a sultam-derived N-(diphenylmethylene)glycinate equivalent 1 with activated (allylic and propargylic) organic bromides and with Michael accepters under solid-liquid phase-transfer catalysis conditions, using potassium carbonate as base, affords the monoalkylated compounds with high diastereoselectivity (>97% d.e.). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00169-4
• 作为产物：
  描述：

  2-(Benzhydrylidene-amino)-1-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ⁶-thia-4-aza-tricyclo[5.2.1.0^1,5]dec-4-yl)-ethanone 、 2-溴甲基丙烯酸乙酯 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 以81%的产率得到(R)-4-(Benzhydrylidene-amino)-5-((1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01,5]dec-4-yl)-2-methylene-5-oxo-pentanoic acid ethyl ester
  参考文献：
  名称：

  Highly diastereoselective monoalkylation and Michael addition of N-(diphenylmethylene)glycinesultam under solid–liquid phase-transfer catalysis conditions using potassium carbonate as base

  摘要：

  Treatment of a sultam-derived N-(diphenylmethylene)glycinate equivalent 1 with activated (allylic and propargylic) organic bromides and with Michael accepters under solid-liquid phase-transfer catalysis conditions, using potassium carbonate as base, affords the monoalkylated compounds with high diastereoselectivity (>97% d.e.). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00169-4