(1R,5S)-(+)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one | 16750-85-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,5S)-(+)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one
• 英文别名: (1R,5S)-2,4,4-Trimethylbicyclo[3.1.1]hept-2-en-6-one；(1R,5S)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one
• CAS: 16750-85-9
• 化学式: C₁₀H₁₄O
• 分子量: 150.221
• InChiKey: FZSKMKOCZZKCJL-HTQZYQBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (-)-chrysanthenone 生成 (1R,5S)-(+)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one
  参考文献：
  名称：

  (1S,5R)-(−)-2,4,4-Trimethylbicyclo[3.1.1]hept-2-en-6-one, from the essential oil of the Ethiopian plant Laggera tomentosa

  摘要：

  Enantiomerically pure (1S,5R)-(-)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one has been found along with chrysanthenone, thymoquinol dimethyl ether and two stereoisomers of dehydrocitral in the essential oil of Laggera tomentosa, which is endemic to Ethiopia. (1S,5R)-(-)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one has been identified for the first time from a natural source. Chrysanthenone which is the major constituent of the oil (58%), occurs as the (+)- and (-)-enantiomers in a ca 92:8 ratio. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(99)00373-8

文献信息

• (1S,5R)-(−)-2,4,4-Trimethylbicyclo[3.1.1]hept-2-en-6-one, from the essential oil of the Ethiopian plant Laggera tomentosa
  作者：Nigist Asfaw、Hans J Storesund、Lars Skattebøl、Arne J Aasen

  DOI：10.1016/s0031-9422(99)00373-8

  日期：1999.12

  Enantiomerically pure (1S,5R)-(-)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one has been found along with chrysanthenone, thymoquinol dimethyl ether and two stereoisomers of dehydrocitral in the essential oil of Laggera tomentosa, which is endemic to Ethiopia. (1S,5R)-(-)-2,4,4-trimethylbicyclo[3.1.1]hept-2-en-6-one has been identified for the first time from a natural source. Chrysanthenone which is the major constituent of the oil (58%), occurs as the (+)- and (-)-enantiomers in a ca 92:8 ratio. (C) 1999 Elsevier Science Ltd. All rights reserved.