cannabigerorcin | 1220696-69-4

• 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: cannabigerorcin
• 英文别名: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methylphenol
• CAS: 1220696-69-4
• 化学式: C₁₇H₂₄O
• 分子量: 244.377
• InChiKey: AYAGKDDWTYGMRR-RIYZIHGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  香叶醇 、 间甲酚 在 三氟化硼乙醚 作用下， 以 乙腈 为溶剂， 反应 0.17h， 以10%的产率得到(E)-4-(3,7-dimethylocta-2,6-dien-1-yl)-3-methylphenol
  参考文献：
  名称：

  水合香叶基酚的合成及其对灰霉病菌的杀菌活性

  摘要：

  灰葡萄孢是一种普遍存在的真菌，​​影响数百种植物，给园艺和水果业造成经济损失。寻找新的抗真菌药物是当前人们关注的问题。因此，在这项工作中，合成了一系列烷基侧链已水合的香叶基化酚，并评估了它们针对灰霉病菌的活性。苯酚和香叶醇的偶联是在微波辐射下完成的，在最短的反应时间内获得了最高的反应产率。侧链的水合在二恶烷中以键合的对甲苯磺酸聚合物作为催化剂进行。使用生长抑制测定测试所有合成的化合物针对灰霉病菌的效果并测定EC 50值。结果表明，活性取决于酚环中官能团的数量和性质以及香叶基链的水合程度。最活跃的化合物是1,4-二氢醌，其烷基链末端带有一个羟基。分子对接研究的结果表明，酚环和烷基链中的羟基对于化合物与活性位点的结合非常重要，并且实验的抗真菌活性与结合中可以形成的氢键的数量相关。地点。

  DOI：

  10.3390/molecules26226815

文献信息

• Synthesis and characterization of copper and aluminum salts of H3PMo12O40 for their use as catalysts in the eco-friendly synthesis of chromanes
  作者：Daniela S. Mansilla、M. Rosario Torviso、Elba N. Alesso、Patricia G. Vázquez、Carmen V. Cáceres

  DOI：10.1016/j.apcata.2009.12.029

  日期：2010.3.1

  Acid catalysts based on aluminum (or copper) salts of molybdophosphoric acid (H3PMo12O40) were prepared. They were synthesized from a heteropolyacid solution to which Al-2(SO4)(3), Al2O(CH3COO)(4) or CuSO4 was added. The obtained salts were texturally characterized and a low specific surface area, between 1 and 9 m(2)/g, was observed. The analysis of the prepared salts by ICP-AES spectrometry indicated that the molar content of Mo and P was that corresponding to the anion [PMo12O40](3-). The presence of undegraded Keggin structure was confirmed by XRD, FT-IR, DRS and P-31 MAS-NMR. The catalyst acidity was measured by means of potentiometric titration with a solution of n-butylamine in acetonitrile and by temperature-programmed desorption of pyridine. The AlPMo12O40 salt (from sulfate), which at 5 h of reaction showed the highest conversion of in-cresol (98%) and 75% and 25% selectivity to chromane 4 and 3, respectively, presented the highest total acidity and, simultaneously, acid sites with maximum acid strength very high. On the other hand, Cu0.5H2PMo12O40 catalysts at 5 h of reaction showed lower conversion of m-cresol than the former salt (90%) and also lower selectivity to chromane 4 and 3(37% and 10%, respectively). In the latter case also 43% of open-chain compounds were observed. With the other salts, Al0.5H1.5PMo12O40, Cu-3(PMo12O40)(2) and AlPMo12O40 (from Al2O(CH3COO)(4)), only the reaction intermediaries, open-chain compounds, were obtained because these salts presented low total acidity and acid sites with maximum acid strength very low. (C) 2010 Elsevier B.V. All rights reserved.
• Synthesis and Fungicidal Activity of Hydrated Geranylated Phenols against Botrytis cinerea
  作者：Mauricio Soto、Ana Estevez-Braun、Ángel Amesty、Julia Kluepfel、Susana Restrepo、Katy Diaz、Luis Espinoza、Andrés F. Olea、Lautaro Taborga

  DOI：10.3390/molecules26226815

  日期：——

  work a series of geranylated phenols in which the side alkyl chain has been hydrated have been synthesized, and their activity against B. cinerea has been evaluated. The coupling of phenol and geraniol has been accomplished under microwave irradiation obtaining the highest reaction yields in the shortest reaction times. Hydration of the side chain was carried out in dioxane with p-toluenesulfonic acid

  灰葡萄孢是一种普遍存在的真菌，​​影响数百种植物，给园艺和水果业造成经济损失。寻找新的抗真菌药物是当前人们关注的问题。因此，在这项工作中，合成了一系列烷基侧链已水合的香叶基化酚，并评估了它们针对灰霉病菌的活性。苯酚和香叶醇的偶联是在微波辐射下完成的，在最短的反应时间内获得了最高的反应产率。侧链的水合在二恶烷中以键合的对甲苯磺酸聚合物作为催化剂进行。使用生长抑制测定测试所有合成的化合物针对灰霉病菌的效果并测定EC 50值。结果表明，活性取决于酚环中官能团的数量和性质以及香叶基链的水合程度。最活跃的化合物是1,4-二氢醌，其烷基链末端带有一个羟基。分子对接研究的结果表明，酚环和烷基链中的羟基对于化合物与活性位点的结合非常重要，并且实验的抗真菌活性与结合中可以形成的氢键的数量相关。地点。