Carbonic acid (E)-7-benzenesulfonyl-7-cyano-hept-2-enyl ester ethyl ester | 133942-75-3

• 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: Carbonic acid (E)-7-benzenesulfonyl-7-cyano-hept-2-enyl ester ethyl ester
• 英文别名: [(E)-7-(benzenesulfonyl)-7-cyanohept-2-enyl] ethyl carbonate
• CAS: 133942-75-3
• 化学式: C₁₇H₂₁NO₅S
• 分子量: 351.423
• InChiKey: UBKICGCCAPHTLR-RUDMXATFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Carbonic acid (E)-7-benzenesulfonyl-7-cyano-hept-2-enyl ester ethyl ester 在 lithium aluminium tetrahydride 、 bis[1,2-bis(diphenylphosphino)ethane]palladium(0) 、 mercury(II) diacetate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (1bR,4aS)-4a-Benzenesulfonyl-octahydro-5a-aza-cyclopropa[a]pentalene
  参考文献：
  名称：

  Palladium-Catalyzed Diastereoselective Cyclization of the Allylic Precursors. A Concise Synthetic Route to 3-Azabicyclo[3.3.0]Octane and Hydroisoindole Skeletons

  摘要：

  A useful variant of palladium-catalyzed 1,2-diastereoselective cyclization of the allylic precursors based on the steric nature of the anion stabilizing groups has been developed. The 1,1,2-trisubstituted cycloalkane products have also been efficiently transformed into the azabicyclic systems.

  DOI：

  10.1080/00397910008087454
• 作为产物：
  描述：

  ethyl (E)-6-iodo-2-hexenoate 在 吡啶 、 sodium hydride 、 二异丁基氢化铝 作用下， 生成 Carbonic acid (E)-7-benzenesulfonyl-7-cyano-hept-2-enyl ester ethyl ester
  参考文献：
  名称：

  Palladium-Catalyzed Diastereoselective Cyclization of the Allylic Precursors. A Concise Synthetic Route to 3-Azabicyclo[3.3.0]Octane and Hydroisoindole Skeletons

  摘要：

  A useful variant of palladium-catalyzed 1,2-diastereoselective cyclization of the allylic precursors based on the steric nature of the anion stabilizing groups has been developed. The 1,1,2-trisubstituted cycloalkane products have also been efficiently transformed into the azabicyclic systems.

  DOI：

  10.1080/00397910008087454

文献信息

• Palladium-Catalyzed Diastereoselective Cyclization of the Allylic Precursors. A Concise Synthetic Route to 3-Azabicyclo[3.3.0]Octane and Hydroisoindole Skeletons
  作者：Young-Ger Suh、Young-Choon Lee、Jung-Ae Ko、Soon-Ai Kim、Jee-Young Kim、Jae-Kyung Jung、Seung-Yong Seo、Kee-Ho Lee

  DOI：10.1080/00397910008087454

  日期：2000.8

  A useful variant of palladium-catalyzed 1,2-diastereoselective cyclization of the allylic precursors based on the steric nature of the anion stabilizing groups has been developed. The 1,1,2-trisubstituted cycloalkane products have also been efficiently transformed into the azabicyclic systems.