(2E,6E)-1,5-bis(benzenesulfonyl)-3,7-dimethyl-9-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,6-diene | 1011717-98-8

• 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-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,6-diene
• 英文别名: 8-[(3E,7E)-5,9-bis(benzenesulfonyl)-3,7-dimethylnona-3,7-dienyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalene
• CAS: 1011717-98-8
• 化学式: C₃₇H₅₀O₄S₂
• 分子量: 622.934
• InChiKey: YTGWEKKQRFFLGO-ZGZVEOIDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 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,14E)-1,5-bis(benzenesulfonyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaene 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-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,6-diene 、 (2E,6E)-1,5-bis(benzenesulfonyl)-3,7-dimethyl-9-(2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)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.