2-pyridin-2-ylsulfanyl-3-[[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione | 1256451-21-4

• 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: 2-pyridin-2-ylsulfanyl-3-[[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
• CAS: 1256451-21-4
• 化学式: C₂₆H₃₁NO₂S
• 分子量: 421.604
• InChiKey: YONYXERBNISEAP-QUGAMOGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-pyridin-2-ylsulfanyl-3-[[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione 在 Raney nickel 作用下， 以 乙醇 为溶剂， 反应 0.08h， 以99%的产率得到2-[[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
  参考文献：
  名称：

  Synthesis of quinone/hydroquinone sesquiterpenes

  摘要：

  ent-Halimic acid has been used in the synthesis of the quinone/hydroquinone sesquiterpenes (-)-aureol, (-)-smenoqualone, (-)-neomamanuthaquinone and in the formal synthesis of (-)-cyclosmenospongine. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.08.038
• 作为产物：
  描述：

  (2-sulfanylidenepyridin-1-yl) 2-[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]acetate 、 对苯醌 以 二氯甲烷 为溶剂， 反应 2.0h， 以70%的产率得到2-pyridin-2-ylsulfanyl-3-[[(1S,2R)-1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Synthesis of quinone/hydroquinone sesquiterpenes

  摘要：

  ent-Halimic acid has been used in the synthesis of the quinone/hydroquinone sesquiterpenes (-)-aureol, (-)-smenoqualone, (-)-neomamanuthaquinone and in the formal synthesis of (-)-cyclosmenospongine. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.08.038

文献信息

• Synthesis of quinone/hydroquinone sesquiterpenes
  作者：I.S. Marcos、A. Conde、R.F. Moro、P. Basabe、D. Díez、J.G. Urones

  DOI：10.1016/j.tet.2010.08.038

  日期：2010.10

  ent-Halimic acid has been used in the synthesis of the quinone/hydroquinone sesquiterpenes (-)-aureol, (-)-smenoqualone, (-)-neomamanuthaquinone and in the formal synthesis of (-)-cyclosmenospongine. (C) 2010 Elsevier Ltd. All rights reserved.