2,2,3,7-tetramethyltricyclo[5.2.2.0^1,6]undec-3-ene | 38609-30-2

• 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: 2,2,3,7-tetramethyltricyclo[5.2.2.0^1,6]undec-3-ene
• 英文别名: thujopsene-I3；1,2,3,4,7,7a-hexahydro-1,4,4,5-tetramethyl-1,3a-ethano-3aH-indene；α-clovene；2,2,3,7-Tetramethyltricyclo<5.2.2.0^1,6>undec-3-en；2,2,3,7-Tetramethyltricyclo[5.2.2.01,6]undec-3-ene
• CAS: 38609-30-2
• 化学式: C₁₅H₂₄
• 分子量: 204.356
• InChiKey: STZAKYAXVXYXMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,2,3,7-tetramethyltricyclo[5.2.2.0^1,6]undec-3-ene 、 乙酸酐 在 PPA 作用下， 生成 1,2,3,4,7,7a-六氢-1,4,4,5-四甲基-6-乙酰基-1,3a-乙桥-3aH-茚
  参考文献：
  名称：

  Acetylation of thujopsene

  摘要：

  DOI：

  10.1021/jo00966a002
• 作为产物：
  描述：

  1,4,11,11-tetramethylbicyclo[5.4.0]undeca-3,7-diene 在 氯氟磺酰 、 氟磺酸 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到2,2,3,7-tetramethyltricyclo[5.2.2.0^1,6]undec-3-ene
  参考文献：
  名称：

  摘要：

  The transformations of (-)-thujopsene in liquid (HSO3F-SO2FCl) and over solid (TiO2/SO42-) superacids, as well as by the action of peroxy acids, were studied. New tricyclic hydrocarbons were isolated. The experimental results were compared with the data of computer analysis of the most probable transformation pathways using molecular-mechanics and quantum-chemical methods.

  DOI：

  10.1023/a:1012328407347

文献信息

• NOVEL REARRANGEMENT OF DIHYDROMAYURONE WITH BORON TRIFLUORIDE IN ACETIC ACID-ACETIC ANHYDRIDE
  作者：Haruo Sekizaki、Masaaki Ito、Shoji Inoue

  DOI：10.1246/cl.1978.1191

  日期：1978.11.5

  Acid-catalyzed isomerization of dihydromayurone (4) with boron trifluoride etherate in acetic acid-acetic anhydride afforded 4-acetoxy-1β,11,11-trimethylbicyclo[5.4.0]undeca-3,7-diene (5), 4-acetox...

  在乙酸-乙酸酐中二氢马脲酮 (4) 与三氟化硼醚合物的酸催化异构化得到 4-乙酰氧基-1β,11,11-三甲基双环 [5.4.0] 十一烷-3,7-二烯 (5), 4-乙酰氧基...
• ——
  作者：O. I. Yarovaya、M. P. Polovinka、D. V. Korchagina、Yu. V. Gatilov、I. Yu. Bagryanskaya、V. V. Shcherbukhin、A. A. Shal'ko、G. A. Zenkovets、V. A. Barkhash

  DOI：10.1023/a:1012328407347

  日期：——

  The transformations of (-)-thujopsene in liquid (HSO3F-SO2FCl) and over solid (TiO2/SO42-) superacids, as well as by the action of peroxy acids, were studied. New tricyclic hydrocarbons were isolated. The experimental results were compared with the data of computer analysis of the most probable transformation pathways using molecular-mechanics and quantum-chemical methods.
• Acetylation of thujopsene
  作者：Garry C. Kitchens、Hans U. Daeniker、Alan R. Hochstetler、Kent Kaiser、John F. Blount

  DOI：10.1021/jo00966a002

  日期：1972.1