cis-3,5-bis(3,3,5-trimethyl-6,7,8-trioxabicyclo[3.2.1]octan-1-yl)-1,2,4-trioxolane | 1259282-40-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三氧戊环
• 英文名称: cis-3,5-bis(3,3,5-trimethyl-6,7,8-trioxabicyclo[3.2.1]octan-1-yl)-1,2,4-trioxolane
• 英文别名: 1,3,3-trimethyl-5-[(3S,5R)-5-(3,3,5-trimethyl-6,7,8-trioxabicyclo[3.2.1]octan-1-yl)-1,2,4-trioxolan-3-yl]-6,7,8-trioxabicyclo[3.2.1]octane
• CAS: 1259282-40-0
• 化学式: C₁₈H₂₈O₉
• 分子量: 388.415
• InChiKey: MGZAEUQQATZTMX-ANZUROFZSA-N

物化性质

• 沸点：
  388.4±42.0 °C(predicted)
• 密度：
  1.307±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  83.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  异佛尔酮 在 臭氧 作用下， 以 正戊烷 为溶剂， 反应 12.0h， 生成 cis-3,5-bis(3,3,5-trimethyl-6,7,8-trioxabicyclo[3.2.1]octan-1-yl)-1,2,4-trioxolane 、 trans-3,5-bis(3,3,5-trimethyl-6,7,8-trioxabicyclo[3.2.1]octan-1-yl)-1,2,4-trioxolane
  参考文献：
  名称：

  Ozonolyses of Isophorone and of 3-Methyl-2-cyclohexen-1-one and Subsequent Reactions of the Respective Ozonides to Afford Di-, Tri- and Tetraozonides

  摘要：

  Ozonolyses of isophorone (1a) and 3-methyl-2-cyclohexen-1-one (1b) in pentane, followed by treatment of the ozonolyses products with O-methyl-hydroxylamine afforded the ozonides 3,3,5-Trimethyl-6,7,8-trioxabicycle[3.2.1] octane-1 -carbaldehyde-O-methyloxime (5a) and 5-Methyl-6,7,8-trioxabicyclo [3.2.1]octane-1-carbaldehyde-O-methyloxime (5b), respectively. Coozonolyses of ozonides 5 with selected carbonyl compounds resulted in the formation of diozonides (9, 11), triozonides (12) and tetraozonides (14).

  DOI：

  10.3987/com-10-11993

文献信息

• Ozonolyses of Isophorone and of 3-Methyl-2-cyclohexen-1-one and Subsequent Reactions of the Respective Ozonides to Afford Di-, Tri- and Tetraozonides
  作者：In Chan Jung、Sad Alam Sheikh、Byong-Mun Jon、Wei Li、Bon-Suk Goo、In-Soo Jeong

  DOI：10.3987/com-10-11993

  日期：——

  Ozonolyses of isophorone (1a) and 3-methyl-2-cyclohexen-1-one (1b) in pentane, followed by treatment of the ozonolyses products with O-methyl-hydroxylamine afforded the ozonides 3,3,5-Trimethyl-6,7,8-trioxabicycle[3.2.1] octane-1 -carbaldehyde-O-methyloxime (5a) and 5-Methyl-6,7,8-trioxabicyclo [3.2.1]octane-1-carbaldehyde-O-methyloxime (5b), respectively. Coozonolyses of ozonides 5 with selected carbonyl compounds resulted in the formation of diozonides (9, 11), triozonides (12) and tetraozonides (14).