7β-Hydroxy-4,4,10-trimethyl-Δ⁵-octalin | 91975-36-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7β-Hydroxy-4,4,10-trimethyl-Δ⁵-octalin
• 英文别名: (2R,4aR)-4a,8,8-trimethyl-2,3,4,5,6,7-hexahydronaphthalen-2-ol
• CAS: 91975-36-9
• 化学式: C₁₃H₂₂O
• 分子量: 194.317
• InChiKey: LBWYEHJYSKGFCW-ZWNOBZJWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7β-Hydroxy-4,4,10-trimethyl-Δ⁵-octalin 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 以89%的产率得到(-)-(4aR)-4,4a,5,6,7,8-hexahydro-4a,8,8-trimethylnaphthalene-2(3H)-one
  参考文献：
  名称：

  The first synthesis and absolute configuration of glaucescenolide

  摘要：

  The first synthesis of glaucescenolide (1), a cytotoxic sesquiterpene isolated from the liverwort, Schistochila glaucescens, was achieved by starting from 2,2,6-trimethylcyclohexanone (2). The absolute configuration of the naturally occurring 1 was confirmed as 5S,7S,10R. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.148
• 作为产物：
  描述：

  [(2R,4aR)-4a,8,8-trimethyl-2,3,4,5,6,7-hexahydronaphthalen-2-yl] acetate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以97%的产率得到7β-Hydroxy-4,4,10-trimethyl-Δ⁵-octalin
  参考文献：
  名称：

  The first synthesis and absolute configuration of glaucescenolide

  摘要：

  The first synthesis of glaucescenolide (1), a cytotoxic sesquiterpene isolated from the liverwort, Schistochila glaucescens, was achieved by starting from 2,2,6-trimethylcyclohexanone (2). The absolute configuration of the naturally occurring 1 was confirmed as 5S,7S,10R. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.148

文献信息

• The first synthesis and absolute configuration of glaucescenolide
  作者：Hirosato Takikawa、Keiko Ueda、Mitsuru Sasaki

  DOI：10.1016/j.tetlet.2004.05.148

  日期：2004.7

  The first synthesis of glaucescenolide (1), a cytotoxic sesquiterpene isolated from the liverwort, Schistochila glaucescens, was achieved by starting from 2,2,6-trimethylcyclohexanone (2). The absolute configuration of the naturally occurring 1 was confirmed as 5S,7S,10R. (C) 2004 Elsevier Ltd. All rights reserved.