6-chloro-N-octyl-1,3,5-triazine-2,4-diamine | 1448533-64-9

• 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: 6-chloro-N-octyl-1,3,5-triazine-2,4-diamine
• 英文别名: 6-chloro-2-N-octyl-1,3,5-triazine-2,4-diamine
• CAS: 1448533-64-9
• 化学式: C₁₁H₂₀ClN₅
• mdl: MFCD23678654
• 分子量: 257.766
• InChiKey: YMWLHXMAWMKJNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.727
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-chloro-N-octyl-1,3,5-triazine-2,4-diamine 、 正丁胺 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 20.0h， 以77%的产率得到N-butyl-N'-octyl-1,3,5-triazine-2,4,6-triamine
  参考文献：
  名称：

  Growth Mechanisms of 2D Organic Assemblies Generated from Dialkylated Melaminium Derivatives: The Length Difference of the Two Alkyl Chains That Matters

  摘要：

  This research is aimed to understand the growth mechanisms for self-assembly of dialkylated melamine derivatives. The dialkylated melamine derivatives with different alkyl chains (Mela-m-n) are able to self assemble with hydrochloric acid in dichloromethane to form 2D organic assemblies, exhibiting similar lamellar structures as Mela-n center dot HCl with identical alkyl chains. The most interesting finding is that the growth mechanism of Mela-n center dot HCl with identical alkyl chains is revealed to be layer growth, while Mela-m-n center dot HCl with asymmetric alkyl chains adopts a spiral growth mechanism The asymmetric alkyl chains in Mela-m-n may lead to the formation of dislocation, which is responsible for the spiral growth mechanism.

  DOI：

  10.1021/la402622j
• 作为产物：
  描述：

  2-氨基-4,6-二氯-S-三嗪 、 辛胺 在 碳酸氢钠 作用下， 以 水 为溶剂， 反应 5.0h， 以22%的产率得到6-chloro-N-octyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Growth Mechanisms of 2D Organic Assemblies Generated from Dialkylated Melaminium Derivatives: The Length Difference of the Two Alkyl Chains That Matters

  摘要：

  This research is aimed to understand the growth mechanisms for self-assembly of dialkylated melamine derivatives. The dialkylated melamine derivatives with different alkyl chains (Mela-m-n) are able to self assemble with hydrochloric acid in dichloromethane to form 2D organic assemblies, exhibiting similar lamellar structures as Mela-n center dot HCl with identical alkyl chains. The most interesting finding is that the growth mechanism of Mela-n center dot HCl with identical alkyl chains is revealed to be layer growth, while Mela-m-n center dot HCl with asymmetric alkyl chains adopts a spiral growth mechanism The asymmetric alkyl chains in Mela-m-n may lead to the formation of dislocation, which is responsible for the spiral growth mechanism.

  DOI：

  10.1021/la402622j