(E)-4-[(Z)-(R)-2,2-Bis-propylsulfanyl-1-((4S,5R,4'R)-2,2,2',2'-tetramethyl-[4,4']bi[[1,3]dioxolanyl]-5-yl)-ethylimino]-but-2-enoic acid benzyl ester | 162398-32-5

• 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: (E)-4-[(Z)-(R)-2,2-Bis-propylsulfanyl-1-((4S,5R,4'R)-2,2,2',2'-tetramethyl-[4,4']bi[[1,3]dioxolanyl]-5-yl)-ethylimino]-but-2-enoic acid benzyl ester
• CAS: 162398-32-5
• 化学式: C₂₉H₄₃NO₆S₂
• 分子量: 565.796
• InChiKey: SFXDDLUDRDXDTD-BESGHFBSSA-N

物化性质

• 沸点：
  635.4±55.0 °C(predicted)
• 密度：
  1.17±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  38.0
• 可旋转键数：
  14.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  75.58
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (E)-4-[(Z)-(R)-2,2-Bis-propylsulfanyl-1-((4S,5R,4'R)-2,2,2',2'-tetramethyl-[4,4']bi[[1,3]dioxolanyl]-5-yl)-ethylimino]-but-2-enoic acid benzyl ester 在 偶氮二异丁腈 、 三正丁基氢锡 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  The use of radical decarboxylation in the preparation of 1-methylcarbapenem antibiotic precursors from D-glucosamine

  摘要：

  The stereocontrolled synthesis of optically active 1-methylcarbapenams has been performed by radical cyclization and radical decarboxylation. 1,3,4-Trisubstituted-2-azetidinones, prepared by the Staudinger reaction with D-glucosamine as chiral auxiliary and sorbic acid were used as starting materials.

  DOI：

  10.1016/s0957-4166(00)86289-8
• 作为产物：
  描述：

  sorbic acid benzyl ester 在 二甲基硫 、 臭氧 作用下， 生成 (E)-4-[(Z)-(R)-2,2-Bis-propylsulfanyl-1-((4S,5R,4'R)-2,2,2',2'-tetramethyl-[4,4']bi[[1,3]dioxolanyl]-5-yl)-ethylimino]-but-2-enoic acid benzyl ester
  参考文献：
  名称：

  The use of radical decarboxylation in the preparation of 1-methylcarbapenem antibiotic precursors from D-glucosamine

  摘要：

  The stereocontrolled synthesis of optically active 1-methylcarbapenams has been performed by radical cyclization and radical decarboxylation. 1,3,4-Trisubstituted-2-azetidinones, prepared by the Staudinger reaction with D-glucosamine as chiral auxiliary and sorbic acid were used as starting materials.

  DOI：

  10.1016/s0957-4166(00)86289-8