| 37575-38-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• CAS: 37575-38-5
• 化学式: C₁₃H₂₀
• 分子量: 176.302
• InChiKey: JZRCLTODHGSUJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  7,8-二氢紫罗兰酮 生成 1-(3-Butynyl)-2,6,6-trimethyl-1-cyclohexene 、 6-But-3-ynyl-1,5,5-trimethyl-cyclohexene 、
  参考文献：
  名称：

  潜在的安布拉香精的合成：5,5,9-三甲基癸基衍生物。

  摘要：

  AbstractThe synthesis of racemic stereoisomeric compounds with the 5,5,9‐trimethyldecalin skeleton and an oxygen function at C(1), C(2), or C(3) is describedAlthough racemic decalins are described, only the enantiomer related to steroids is drawn. The projection of the decalins was chosen so as to place the angular methyl group above the plane of the molecule and the oxygen function at C(1), C(2) or C(3) on the left side, as represented by formula 1–6. The relative configuration of the substituents in decalins is designated by using the convention of the steroid series: β, meaning on the same side as the angular methyl group at C(9) and α, meaning on the side opposite from the angular methyl group. The prefix cis or trans refers to the fusion of the decalin ring system, not to the position of the substituents. . A novel general one‐step synthesis of 2‐decalones by means of acid catalyzed cyclization of acyclic or monocyclic precursors has been developed.

  DOI：

  10.1002/hlca.19730560425