5,5'-(3,6-dioxaoctane-1,8-diyl)bis-1,3,5-dithiazinane | 1367723-20-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: 5,5'-(3,6-dioxaoctane-1,8-diyl)bis-1,3,5-dithiazinane
• 英文别名: 5-[2-[2-[2-(1,3,5-dithiazinan-5-yl)ethoxy]ethoxy]ethyl]-1,3,5-dithiazinane
• CAS: 1367723-20-3
• 化学式: C₁₂H₂₄N₂O₂S₄
• 分子量: 356.599
• InChiKey: UJDGZKXUBRGSII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 1,8-二氨基-3,6-二氧杂辛烷 在 硫化氢 作用下， 以 水 为溶剂， 反应 3.0h， 以68%的产率得到5,5'-(3,6-dioxaoctane-1,8-diyl)bis-1,3,5-dithiazinane
  参考文献：
  名称：

  Cyclothiomethylation of heterochain α,ω-diamines with formaldehyde and H2S

  摘要：

  Cyclothiomethylation was performed of heterochain (O, S-S, NH) alpha,omega-diamines with formaldehyde and H2S in aqueous medium at 20-60A degrees C to obtain new alpha,omega-bis(1,3,5-dithiazinanes). The cyclocondensation of N-(3-aminopropyl)butane-1,4-diamine (spermidine), formaldehyde, and H2S proceeds efficiently in the medium of BuOH-H2O at 0A degrees C and leads to the formation of previously unknown O,S-containing macroheterocycle, 1,7-dioxa-3,5,9,11-tetrathiacyclododecane. A fungicidal activity was found in 5,5'-(3,6-dioxaoctane-1,8-diyl)bis-1,3,5-dithiazinane with respect to microscopic fungi affecting agriculture.

  DOI：

  10.1134/s107042801202008x

文献信息

• Cyclothiomethylation of heterochain α,ω-diamines with formaldehyde and H2S
  作者：V. R. Akhmetova、E. B. Rakhimova、A. B. Minnebaev、R. V. Kunakova、N. F. Galimzyanova

  DOI：10.1134/s107042801202008x

  日期：2012.2

  Cyclothiomethylation was performed of heterochain (O, S-S, NH) alpha,omega-diamines with formaldehyde and H2S in aqueous medium at 20-60A degrees C to obtain new alpha,omega-bis(1,3,5-dithiazinanes). The cyclocondensation of N-(3-aminopropyl)butane-1,4-diamine (spermidine), formaldehyde, and H2S proceeds efficiently in the medium of BuOH-H2O at 0A degrees C and leads to the formation of previously unknown O,S-containing macroheterocycle, 1,7-dioxa-3,5,9,11-tetrathiacyclododecane. A fungicidal activity was found in 5,5'-(3,6-dioxaoctane-1,8-diyl)bis-1,3,5-dithiazinane with respect to microscopic fungi affecting agriculture.