2,2-dimethyl-6-pentadecyl-4H-1,3-dioxin-4-one | 1224514-12-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-6-pentadecyl-4H-1,3-dioxin-4-one
• CAS: 1224514-12-8
• 化学式: C₂₁H₃₈O₃
• 分子量: 338.531
• InChiKey: GINIPWLWAALGNT-UHFFFAOYSA-N

物化性质

• 沸点：
  442.3±34.0 °C(Predicted)
• 密度：
  0.922±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.66
• 重原子数：
  24.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 2,2-dimethyl-6-pentadecyl-4H-1,3-dioxin-4-one 反应 0.33h， 以70%的产率得到3羰基茚酯酸甲酯
  参考文献：
  名称：

  Synthesis and chain-dependent antifungal activity of long-chain 2H-azirine-carboxylate esters related to dysidazirine

  摘要：

  Analogues of the antifungal marine natural product (E)-dysidazirine were prepared and evaluated in broth ro-dilution assays against a panel of fungal pathogens. A simple structure-activity relationship was developed which provides insight into the mechanism of action of long-chain 2H-azirine carboxylates. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.068
• 作为产物：
  描述：

  溴代十四烷 、 2,2,6-三甲基-4H-1,3-二英-4-酮 在 六甲基磷酰三胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 3.33h， 以18%的产率得到2,2-dimethyl-6-pentadecyl-4H-1,3-dioxin-4-one
  参考文献：
  名称：

  Synthesis and chain-dependent antifungal activity of long-chain 2H-azirine-carboxylate esters related to dysidazirine

  摘要：

  Analogues of the antifungal marine natural product (E)-dysidazirine were prepared and evaluated in broth ro-dilution assays against a panel of fungal pathogens. A simple structure-activity relationship was developed which provides insight into the mechanism of action of long-chain 2H-azirine carboxylates. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.068