6-methoxy-2-hexylchroman-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-methoxy-2-hexylchroman-4-one
• 英文别名: 2-Hexyl-6-methoxy-2,3-dihydrochromen-4-one；2-hexyl-6-methoxy-2,3-dihydrochromen-4-one
• 化学式: C₁₆H₂₂O₃
• 分子量: 262.349
• InChiKey: PZWZSBOMPDOJOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.562
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-methoxy-2-hexylchroman-4-one 在 sodium tetrahydroborate 作用下， 以78%的产率得到2-Hexyl-6-methoxy-chroman-4-ol
  参考文献：
  名称：

  Kabbe, Hans-Joachim; Widdig, Arno, Angewandte Chemie, 1982, vol. 94, # 4, p. 254 - 262

  摘要：

  DOI：
• 作为产物：
  描述：

  2'-羟基-5'-甲氧基苯乙酮 、 庚醛 在 二异丙胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以32.52%的产率得到6-methoxy-2-hexylchroman-4-one
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel non-azole derivatives as potential antifungal agents

  摘要：

  A series of 3-substituted quinazolinones, 2-substituted quinoxalines and 2-substituted benzopyrans were synthesized and evaluated for their antifungal activity in vitro. The new compounds revealed excellent in vitro antifungal activity with broad spectrum. The structure-activity relationships (SARs) of the derivatives were analyzed. Compound 9A2 exhibits better antifungal activity against 5 tested fungi in vitro than fluconazole, especially against Trichophyton rubrum and Microsporum gypseum. This study provides a series of novel lead compounds for the development of non-azole antifungal agents. (C) 2015 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.2015.04.030

文献信息

• Design, synthesis and biological evaluation of novel non-azole derivatives as potential antifungal agents
  作者：Hui Tang、Juan Wu、Wen Zhang、Lei Zhao、Ya-Hui Zhang、Cheng-Wu Shen

  DOI：10.1016/j.cclet.2015.04.030

  日期：2015.9

  A series of 3-substituted quinazolinones, 2-substituted quinoxalines and 2-substituted benzopyrans were synthesized and evaluated for their antifungal activity in vitro. The new compounds revealed excellent in vitro antifungal activity with broad spectrum. The structure-activity relationships (SARs) of the derivatives were analyzed. Compound 9A2 exhibits better antifungal activity against 5 tested fungi in vitro than fluconazole, especially against Trichophyton rubrum and Microsporum gypseum. This study provides a series of novel lead compounds for the development of non-azole antifungal agents. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
• Kabbe, Hans-Joachim; Widdig, Arno, Angewandte Chemie, 1982, vol. 94, # 4, p. 254 - 262
  作者：Kabbe, Hans-Joachim、Widdig, Arno

  DOI：——

  日期：——