(1S,2R,4S,2'R)-1,7,7-trimethyl-2'-(1-methylethyl)spiro[bicyclo[2.2.1]heptane-2,4'-(1,3-dioxane)]

• 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: (1S,2R,4S,2'R)-1,7,7-trimethyl-2'-(1-methylethyl)spiro[bicyclo[2.2.1]heptane-2,4'-(1,3-dioxane)]
• 英文别名: (1'S,2R,4R,4'S)-1',7',7'-trimethyl-2-propan-2-ylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]
• 化学式: C₁₆H₂₈O₂
• 分子量: 252.397
• InChiKey: FIGQXHMXVPBTDV-XRGAULLZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  左旋樟脑 在 lithium aluminium tetrahydride 、 异丙基溴化镁 、 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 5.33h， 生成 (1S,2R,4S,2'R)-1,7,7-trimethyl-2'-(1-methylethyl)spiro[bicyclo[2.2.1]heptane-2,4'-(1,3-dioxane)]
  参考文献：
  名称：

  Camphor-derived amber/woody odorants: 1,7,7-trimethyl-2′-iso-propylspiro[bicyclo[2.2.1]heptane-2,4′-(1,3-dioxanes)]

  摘要：

  Six stereoisomers of a new camphor-derived 1,7,7-trimethyl-2'-iso-propylspiro[bicyclo[2.2.1]heptane-2,4'-(1,3-dioxane)] odorant were prepared. Their design with the help of an amber olfactophore model and structure-odour relationship are reported. The (IR,2S,4R,2'S) isomer has by far the strongest and the most characteristic amber-like odour. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00360-3

文献信息

• Camphor-derived amber/woody odorants: 1,7,7-trimethyl-2′-iso-propylspiro[bicyclo[2.2.1]heptane-2,4′-(1,3-dioxanes)]
  作者：Jerzy A. Bajgrowicz、Iris Frank

  DOI：10.1016/s0957-4166(01)00360-3

  日期：2001.8

  Six stereoisomers of a new camphor-derived 1,7,7-trimethyl-2'-iso-propylspiro[bicyclo[2.2.1]heptane-2,4'-(1,3-dioxane)] odorant were prepared. Their design with the help of an amber olfactophore model and structure-odour relationship are reported. The (IR,2S,4R,2'S) isomer has by far the strongest and the most characteristic amber-like odour. (C) 2001 Elsevier Science Ltd. All rights reserved.