3-(3,4-dimethoxyphenethyl)-2,4,4-trimethyl-1-cyclohexene | 178488-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(3,4-dimethoxyphenethyl)-2,4,4-trimethyl-1-cyclohexene
• 英文别名: 1,2-Dimethoxy-4-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethyl]benzene
• CAS: 178488-24-9
• 化学式: C₁₉H₂₈O₂
• 分子量: 288.43
• InChiKey: RZIHMRXLCJYPFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3,4-dimethoxyphenethyl)-2,4,4-trimethyl-1-cyclohexene 在 叔丁基过氧化氢 、 sodium tetrahydroborate 、 正丁基锂 、 selenium(IV) oxide 作用下， 反应 14.75h， 生成 15-hydroxybarbatusol methyl ether
  参考文献：
  名称：

  Wang, Xuechao; Cui, Yuxin; Pan, Xinfu, Journal of the Indian Chemical Society, 1996, vol. 73, # 4-5, p. 217 - 219

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6,6-三甲基环己-2-烯-1-羧酸 在 palladium on activated charcoal lithium aluminium tetrahydride 、 正丁基锂 、 氢气 、 potassium carbonate 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 丙酮 为溶剂， 反应 19.5h， 生成 3-(3,4-dimethoxyphenethyl)-2,4,4-trimethyl-1-cyclohexene
  参考文献：
  名称：

  Isolation, synthesis, and anti-tumor activities of a novel class of podocarpic diterpenes

  摘要：

  A novel unusual 17-carbon diterpenoid, named (+)-7-deoxynimbidiol, was isolated from the stalks of Celastrus hypoleucus (Oliv.) Warb. Its racemate and derivatives were synthesized, and the inhibitory activities of these compounds against four cultured human-tumor cell lines were evaluated. The structure-activity relationship was discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.023

文献信息

• Isolation, synthesis, and anti-tumor activities of a novel class of podocarpic diterpenes
  作者：Yi Xiong、Kuiwu Wang、Yuanjiang Pan、Hongxiang Sun、Jue Tu

  DOI：10.1016/j.bmcl.2005.11.023

  日期：2006.2

  A novel unusual 17-carbon diterpenoid, named (+)-7-deoxynimbidiol, was isolated from the stalks of Celastrus hypoleucus (Oliv.) Warb. Its racemate and derivatives were synthesized, and the inhibitory activities of these compounds against four cultured human-tumor cell lines were evaluated. The structure-activity relationship was discussed. (c) 2005 Elsevier Ltd. All rights reserved.
• Wang, Xuechao; Cui, Yuxin; Pan, Xinfu, Journal of the Indian Chemical Society, 1996, vol. 73, # 4-5, p. 217 - 219
  作者：Wang, Xuechao、Cui, Yuxin、Pan, Xinfu、Chen, Yaozu

  DOI：——

  日期：——