2-(5-isopropyl-5,8,8-trimethyl-1,3-dinitro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol | 1221426-28-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(5-isopropyl-5,8,8-trimethyl-1,3-dinitro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
• CAS: 1221426-28-3
• 化学式: C₁₈H₂₆N₂O₅
• 分子量: 350.415
• InChiKey: CONKUILSRQLFPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  106.51
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(5-isopropyl-5,8,8-trimethyl-1,3-dinitro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol 在 palladium 10% on activated carbon 、 环己烯 作用下， 以 乙醇 为溶剂， 生成 2-(3-amino-5-isopropyl-5,8,8-trimethyl-1-nitro-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-ol
  参考文献：
  名称：

  De novo synthesis of teleocidin B analogs

  摘要：

  Teleocidin B analogs have been synthesized in 24 steps and 1.9% overall yield. The key steps include aromatic Claisen rearrangement, intramolecular Heck reaction of a tetra-substituted alkene, and ruthenium (II) catalyzed indole cyclization. Teleocidin and the new analogs promote cell spreading on fibroblast cells that were treated with amino-Nogo, an inhibitor of cell spreading. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.048
• 作为产物：
  描述：

  聚合甲醛 、 1-isopropyl-1,4,4,6-tetramethyl-5,7-dinitro-1,2,3,4-tetrahydronaphthalene 在 苄基三甲基氢氧化铵 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 16.0h， 以90%的产率得到2-(5-isopropyl-5,8,8-trimethyl-1,3-dinitro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
  参考文献：
  名称：

  De novo synthesis of teleocidin B analogs

  摘要：

  Teleocidin B analogs have been synthesized in 24 steps and 1.9% overall yield. The key steps include aromatic Claisen rearrangement, intramolecular Heck reaction of a tetra-substituted alkene, and ruthenium (II) catalyzed indole cyclization. Teleocidin and the new analogs promote cell spreading on fibroblast cells that were treated with amino-Nogo, an inhibitor of cell spreading. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.048