(2E,6E)-1,5-bis(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-nona-2,6-diene | 1011506-04-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (2E,6E)-1,5-bis(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-nona-2,6-diene
• 英文别名: [(2E,6E)-5-(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]sulfonylbenzene
• CAS: 1011506-04-9
• 化学式: C₃₂H₄₂O₄S₂
• 分子量: 554.815
• InChiKey: FEWVBXZNTULSTK-DPWPWZFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  85
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (2E,6E,10E)-1,5-bis(benzenesulfonyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene 在 甲烷磺酸 作用下， 以 various solvent(s) 为溶剂， 反应 0.5h， 生成 (2E,6E)-1,5-bis(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexenyl)-nona-2,6-diene 、 (2E,6E)-1,5-bis(benzenesulfonyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-nona-2,6-diene
  参考文献：
  名称：

  General Preparation and Controlled Cyclization of Acyclic Terpenoids

  摘要：

  [GRAPHICS]A general preparation method of the all-(E)-polyprenols 12 has been developed from readily available geranyl sulfone by the chain-extension process utilizing the C-5 unit 5 and the chain-temination process utilizing the C5 unit 10 together with the chemoselective reductive desulfortylation. The polyprenols 12 were converted to compounds 3 containing two consecutive prenyl sulfone moieties at the tail end, which underwent the controlled electrophilic cyclization only at the carbon-carbon double bonds that were remote from the flat and rigid benzenesulfonyl groups.

  DOI：

  10.1021/jo702303a

文献信息

• General Preparation and Controlled Cyclization of Acyclic Terpenoids
  作者：Jinchul Kuk、Beom Soo Kim、Heejung Jung、Seyoung Choi、Jung-Youl Park、Sangho Koo

  DOI：10.1021/jo702303a

  日期：2008.3.1

  [GRAPHICS]A general preparation method of the all-(E)-polyprenols 12 has been developed from readily available geranyl sulfone by the chain-extension process utilizing the C-5 unit 5 and the chain-temination process utilizing the C5 unit 10 together with the chemoselective reductive desulfortylation. The polyprenols 12 were converted to compounds 3 containing two consecutive prenyl sulfone moieties at the tail end, which underwent the controlled electrophilic cyclization only at the carbon-carbon double bonds that were remote from the flat and rigid benzenesulfonyl groups.