(+/-)-3-(3-methoxyphenyl)-3,6-dihydro-1,2-dioxine | 1008752-61-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (+/-)-3-(3-methoxyphenyl)-3,6-dihydro-1,2-dioxine
• 英文别名: 3-(3-Methoxyphenyl)-3,6-dihydro-1,2-dioxine
• CAS: 1008752-61-1
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: IBOSTDVEKZRETN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-3-(3-methoxyphenyl)-3,6-dihydro-1,2-dioxine 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到(+/-)-(1aS,2R,5aS)-2-(3-methoxyphenyl)perhydrooxireno[2,3-d][1,2]dioxine
  参考文献：
  名称：

  Design of 1,2-dioxines with anti-Candida activity: aromatic substituted 1,2-dioxines

  摘要：

  In an ongoing effort to rationally design new antimicrobials, 47 new 1,2-dioxines have been synthesised. Broad antifungal structure-activity relationships governing aromatically substituted epoxy-1,2-dioxines 2 and 3 and their parent 1,2-dioxines 1 were assessed primarily against the pathogenic yeast, Candida albicans, with haemolytic activity of selected examples also reported. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.071
• 作为产物：
  描述：

  1-(3-methoxyphenyl)buta-1,3-diene 在 氧气 作用下， 以 二氯甲烷 为溶剂， 以17%的产率得到(+/-)-3-(3-methoxyphenyl)-3,6-dihydro-1,2-dioxine
  参考文献：
  名称：

  Design of 1,2-dioxines with anti-Candida activity: aromatic substituted 1,2-dioxines

  摘要：

  In an ongoing effort to rationally design new antimicrobials, 47 new 1,2-dioxines have been synthesised. Broad antifungal structure-activity relationships governing aromatically substituted epoxy-1,2-dioxines 2 and 3 and their parent 1,2-dioxines 1 were assessed primarily against the pathogenic yeast, Candida albicans, with haemolytic activity of selected examples also reported. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.071

文献信息

• Design of 1,2-dioxines with anti-Candida activity: aromatic substituted 1,2-dioxines
  作者：Ian G. Macreadie、Thomas D. Avery、Tony V. Robinson、Peter Macreadie、Miles Barraclough、Dennis K. Taylor、Edward R.T. Tiekink

  DOI：10.1016/j.tet.2007.11.071

  日期：2008.2

  In an ongoing effort to rationally design new antimicrobials, 47 new 1,2-dioxines have been synthesised. Broad antifungal structure-activity relationships governing aromatically substituted epoxy-1,2-dioxines 2 and 3 and their parent 1,2-dioxines 1 were assessed primarily against the pathogenic yeast, Candida albicans, with haemolytic activity of selected examples also reported. (c) 2007 Elsevier Ltd. All rights reserved.