(2E)-2-(4-甲氧基苄亚基)庚醛 | 85711-94-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 中文名称: (2E)-2-(4-甲氧基苄亚基)庚醛
• 英文名称: 2-[(4-Methoxyphenyl)methylene]heptan-1-AL
• 英文别名: 2-[(4-methoxyphenyl)methylidene]heptanal
• CAS: 85711-94-0
• 化学式: C₁₅H₂₀O₂
• 分子量: 232.323
• InChiKey: ULNWJBBIVSQKGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2912499000

反应信息

• 作为反应物：
  描述：

  (2E)-2-(4-甲氧基苄亚基)庚醛 、 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以60%的产率得到
  参考文献：
  名称：

  Design and synthesis of chitin synthase inhibitors as potent fungicides

  摘要：

  Chitin is a structural component of fungal cell walls but is absent in vertebrates, mammals, and humans. Chitin synthase is thus an attractive molecular target for developing fungicides. Based on the structure of its donor substrate, UDP-N-acetyl-glucosamine, as well as the modelled structure of the bacterial chitin synthase NodC, we designed a novel scaffold which was then further optimized into a series of chitin synthase inhibitors. The most potent inhibitor, compound 13, exhibited high chitin synthase inhibitory activity with an IC50 value of 64.5 mu mol/L. All of the inhibitors exhibited antifungal activities against the growth of agriculturally-destructive fungi, Fusarium graminearum,Botrytis cinerea, and Colletotrichum lagenarium. This work presents a new scaffold which can be used for the development of novel fungicides. (C) 2017 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2017.03.030
• 作为产物：
  描述：

  庚醛 、 4-甲氧基苯甲醛 在 苄基三乙基氯化铵 、 potassium carbonate 、 caesium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 (2E)-2-(4-甲氧基苄亚基)庚醛
  参考文献：
  名称：

  Design and synthesis of chitin synthase inhibitors as potent fungicides

  摘要：

  Chitin is a structural component of fungal cell walls but is absent in vertebrates, mammals, and humans. Chitin synthase is thus an attractive molecular target for developing fungicides. Based on the structure of its donor substrate, UDP-N-acetyl-glucosamine, as well as the modelled structure of the bacterial chitin synthase NodC, we designed a novel scaffold which was then further optimized into a series of chitin synthase inhibitors. The most potent inhibitor, compound 13, exhibited high chitin synthase inhibitory activity with an IC50 value of 64.5 mu mol/L. All of the inhibitors exhibited antifungal activities against the growth of agriculturally-destructive fungi, Fusarium graminearum,Botrytis cinerea, and Colletotrichum lagenarium. This work presents a new scaffold which can be used for the development of novel fungicides. (C) 2017 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2017.03.030

文献信息

• Highly Selective Aldol Condensation Using Amine‐functionalized SiO ₂ ‐Al ₂ O ₃ Mixed‐oxide under Solvent‐free Condition
  作者：Alireza Abbaspourrad、Roozbeh Javad Kalbasi、Farzad Zamani

  DOI：10.1002/cjoc.201090346

  日期：2010.10

  of amine catalysts supported on mesoporous molecular sieves SiO2/Al2O3 with trimethoxysilylpropylamine [(CH3O)3Si(CH2)3NH2] loading varying from 3 mmol to 6 mmol were synthesized by impregnation method. The aldol condensation of various aromatic aldehydes and 1‐heptanal was used to test the acid‐base cooperativity of amine‐functionalized SiO2/Al2O3. The effects of solvent, reaction temperature, benzaldehyde

  通过浸渍法合成了负载在介孔分子筛SiO 2 / Al 2 O 3上的三甲氧基甲硅烷基丙胺[（CH 3 O）3 Si（CH 2）3 NH 2 ]负载的一系列胺催化剂。各种芳香醛和1-庚醛的醛醇缩合用于测试胺官能化SiO 2 / Al 2 O 3的酸碱协同作用。溶剂，反应温度，苯甲醛与1-庚醛摩尔比，不同载体（SiO 2，Al 2 O 3和SiO 2 -Al 2 O 3），催化剂用量和催化剂的可回收性进行了研究。负载了5 mmol胺的样品显示最高的苯甲醛转化率（100％）和对茉莉醛的选择性（97％）。