1-N,3-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)benzene-1,3-diamine | 862472-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1-N,3-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)benzene-1,3-diamine
• CAS: 862472-07-9
• 化学式: C₁₄H₁₂Cl₂N₈O₂
• 分子量: 395.208
• InChiKey: ICAJJTSKLVXTHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1-N,3-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)benzene-1,3-diamine 、 间苯二胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以68%的产率得到tetraaza-calix[2]arene[2](4-methoxy)triazine
  参考文献：
  名称：

  Synthesis of Aza-Bridged Calix(4-methoxy)triazines toward Flattened π-Conjugated Macrocycles

  摘要：

  Calixtriazines containing a 4-alkoxy-1,3,5-triazine backbone were efficiently synthesized by sequential fragment coupling started from 4-alkoxy-2,6-dichrolo-1,3,5-triazine. These macrocycles tend to form flattened conformations, leading to a stable pi-conjugated system, presumably due to the electronic features of the alkoxy-substituent on the triazine rings.

  DOI：

  10.3987/com-08-s(d)24
• 作为产物：
  描述：

  2,4-二氯-6-甲氧基-1,3,5-三嗪 、 间苯二胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.83h， 以98%的产率得到1-N,3-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)benzene-1,3-diamine
  参考文献：
  名称：

  Synthesis of Aza-Bridged Calix(4-methoxy)triazines toward Flattened π-Conjugated Macrocycles

  摘要：

  Calixtriazines containing a 4-alkoxy-1,3,5-triazine backbone were efficiently synthesized by sequential fragment coupling started from 4-alkoxy-2,6-dichrolo-1,3,5-triazine. These macrocycles tend to form flattened conformations, leading to a stable pi-conjugated system, presumably due to the electronic features of the alkoxy-substituent on the triazine rings.

  DOI：

  10.3987/com-08-s(d)24

文献信息

• Synthesis of Aza-Bridged Calix(4-methoxy)triazines toward Flattened π-Conjugated Macrocycles
  作者：Munetaka Kunishima、Hiroyuki Tanaka、Ayako Wada、Kazuhito Hioki、Daiki Morisaki、Motoo Shiro

  DOI：10.3987/com-08-s(d)24

  日期：——

  Calixtriazines containing a 4-alkoxy-1,3,5-triazine backbone were efficiently synthesized by sequential fragment coupling started from 4-alkoxy-2,6-dichrolo-1,3,5-triazine. These macrocycles tend to form flattened conformations, leading to a stable pi-conjugated system, presumably due to the electronic features of the alkoxy-substituent on the triazine rings.