| 1400572-79-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1400572-79-3
• 化学式: C₁₆H₃₀O₃
• 分子量: 270.412
• InChiKey: LZYFECIMWVZKLD-HJORKGSMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.33
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.69
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 12.33h， 生成
  参考文献：
  名称：

  Synthesis of ent-ambrox® from (−)-nidorellol

  摘要：

  Using ozonolysis of the acid-catalyzed cyclized products of (-)-nidorellol and air-autoxidation as the key steps, (+)-ambrox was obtained in 53% overall yield. In the course of our synthesis, we discovered that (-)-nidorellol provided (+)-ambrox instead of the expected product, (-)-ambrox. Thus the absolute configuration of (-)-nidorellol was proved to be trans-(5R*,7R*,8R*,9S*,10R*)-labda-12,14-diene-7 alpha,8 beta-diol, which is opposite to that illustrated in a previous report. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.120
• 作为产物：
  描述：

  (3aR,4R,5aR,9aR,9bS)-4-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以91%的产率得到
  参考文献：
  名称：

  Synthesis of ent-ambrox® from (−)-nidorellol

  摘要：

  Using ozonolysis of the acid-catalyzed cyclized products of (-)-nidorellol and air-autoxidation as the key steps, (+)-ambrox was obtained in 53% overall yield. In the course of our synthesis, we discovered that (-)-nidorellol provided (+)-ambrox instead of the expected product, (-)-ambrox. Thus the absolute configuration of (-)-nidorellol was proved to be trans-(5R*,7R*,8R*,9S*,10R*)-labda-12,14-diene-7 alpha,8 beta-diol, which is opposite to that illustrated in a previous report. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.120