3-heptyl-4-hexyl-3,6-dihydro-1,2-dioxin | 919076-27-0

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: 3-heptyl-4-hexyl-3,6-dihydro-1,2-dioxin
• 英文别名: 3-Heptyl-4-hexyl-3,6-dihydro-1,2-dioxine；3-heptyl-4-hexyl-3,6-dihydro-1,2-dioxine
• CAS: 919076-27-0
• 化学式: C₁₇H₃₂O₂
• 分子量: 268.44
• InChiKey: VYGRJQRMWAQOPF-UHFFFAOYSA-N

物化性质

• 沸点：
  327.7±22.0 °C(Predicted)
• 密度：
  0.884±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-heptyl-4-hexyl-3,6-dihydro-1,2-dioxin 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以42%的产率得到(+/-)-(1aS,2R,5aS)-2-heptyl-1a-hexylperhydrooxireno[2,3-d][1,2]dioxin
  参考文献：
  名称：

  Design of endoperoxides with anti-Candida activity

  摘要：

  Broad antifungal structure-activity relationships governing epoxy-endoperoxides 2 and 3 and their parent endoperoxides I are reported. Their inhibitory activity against Candida albicans in conjunction with hemolytic activity and/or growth inhibition of cultured mammalian cells are reported. This information provided guidance for the further development of endoperoxide and epoxy-endoperoxides as topical antifungal agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.10.021
• 作为产物：
  描述：

  (E)-2-hexyldec-2-enal 在 Rase Bengal bis(triethylammonium) salt 、 potassium tert-butylate 、 氧气 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 6.25h， 生成 3-heptyl-4-hexyl-3,6-dihydro-1,2-dioxin
  参考文献：
  名称：

  Design of endoperoxides with anti-Candida activity

  摘要：

  Broad antifungal structure-activity relationships governing epoxy-endoperoxides 2 and 3 and their parent endoperoxides I are reported. Their inhibitory activity against Candida albicans in conjunction with hemolytic activity and/or growth inhibition of cultured mammalian cells are reported. This information provided guidance for the further development of endoperoxide and epoxy-endoperoxides as topical antifungal agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.10.021

文献信息

• Design of endoperoxides with anti-Candida activity
  作者：Thomas D. Avery、Peter I. Macreadie、Ben W. Greatrex、Tony V. Robinson、Dennis K. Taylor、Ian G. Macreadie

  DOI：10.1016/j.bmc.2006.10.021

  日期：2007.1.1

  Broad antifungal structure-activity relationships governing epoxy-endoperoxides 2 and 3 and their parent endoperoxides I are reported. Their inhibitory activity against Candida albicans in conjunction with hemolytic activity and/or growth inhibition of cultured mammalian cells are reported. This information provided guidance for the further development of endoperoxide and epoxy-endoperoxides as topical antifungal agents. (c) 2006 Elsevier Ltd. All rights reserved.