1-(2-furyl)-(1E,7E)-nonadiene-3,5-diyne-9-yl 4-methylbenzoate

• 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: 1-(2-furyl)-(1E,7E)-nonadiene-3,5-diyne-9-yl 4-methylbenzoate
• 化学式: C₂₁H₁₆O₃
• 分子量: 316.356
• InChiKey: ARQVBCOZGQTGJP-NBANWCDVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  39.44
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  对甲基苯甲酸 、 苍术素醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.25h， 以76%的产率得到1-(2-furyl)-(1E,7E)-nonadiene-3,5-diyne-9-yl 4-methylbenzoate
  参考文献：
  名称：

  A new 9-nor-atractylodin from Atractylodes lancea and the antibacterial activity of the atractylodin derivatives

  摘要：

  A new compound, namely, 9-nor-atractylodin (1) and one known atractylodin (2) were isolated from the rhizomes of Atractylodes lancea. The structural modifications of atractylodin were carried out and a series of atractylodin derivatives (3-10) were obtained. The antibacterial activities of 1-10 were examined against Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Candida albicans. Compounds 4 and 8, which contained the alpha, beta-unsaturated carbonyl fragment, were found to be active against E. coli and S. aureus. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2011.10.015

文献信息

• A new 9-nor-atractylodin from Atractylodes lancea and the antibacterial activity of the atractylodin derivatives
  作者：Yanjun Chen、Yuxue Wu、Hexiang Wang、Kun Gao

  DOI：10.1016/j.fitote.2011.10.015

  日期：2012.1

  A new compound, namely, 9-nor-atractylodin (1) and one known atractylodin (2) were isolated from the rhizomes of Atractylodes lancea. The structural modifications of atractylodin were carried out and a series of atractylodin derivatives (3-10) were obtained. The antibacterial activities of 1-10 were examined against Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Candida albicans. Compounds 4 and 8, which contained the alpha, beta-unsaturated carbonyl fragment, were found to be active against E. coli and S. aureus. (C) 2011 Elsevier B.V. All rights reserved.