(+/-)-3-(1-adamantylmethyl)-3,6-dihydro-1,2-dioxin | 919076-25-8

• 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-(1-adamantylmethyl)-3,6-dihydro-1,2-dioxin
• 英文别名: 3-(1-adamantylmethyl)-3,6-dihydro-1,2-dioxine
• CAS: 919076-25-8
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: ZYDZLTQJNYPNNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (+/-)-3-(1-adamantylmethyl)-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， 生成 (+/-)-(1aR,2R,5aR)-2-(1-adamantylmethyl)perhydrooxireno[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：

  adamantan-1-ylacetaldehyde 在 Rase Bengal bis(triethylammonium) salt 、 potassium tert-butylate 、 氧气 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.25h， 生成 (+/-)-3-(1-adamantylmethyl)-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.