Trimethyl-[(E)-3-(5-methyl-thiophen-2-yl)-allyl]-ammonium; iodide | 141998-62-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Trimethyl-[(E)-3-(5-methyl-thiophen-2-yl)-allyl]-ammonium; iodide
• CAS: 141998-62-1
• 化学式: C₁₁H₁₈NS*I
• 分子量: 323.241
• InChiKey: MCPLTKKLBAYUCO-IPZCTEOASA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.22
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  Trimethyl-[(E)-3-(5-methyl-thiophen-2-yl)-allyl]-ammonium; iodide 在 silver(l) oxide 作用下， 生成 (E,E)-<6.2>-(2,5)thiophenophane-1,5-diene
  参考文献：
  名称：

  Synthesis and Structure of (E,E)-[6.2]-(2,5)thiophenophane-,5-diene: a new monomer for cyclopolymerization.

  摘要：

  Synthesis and characterization of the title compound (1) is described. UV and variable temperature H-1-NMR spectroscopy are used to deduce structural detail of 1 in solution and results are compared to its x-ray structure. 1 shows structural features favorable for cyclopolymerization to form polymers containing stacked aromatic rings.

  DOI：

  10.1016/s0040-4039(00)79044-7
• 作为产物：
  描述：

  3-(5'-methyl-2'-thienyl)-propen-2-al 在 甲酸 作用下， 以 乙醚 为溶剂， 生成 Trimethyl-[(E)-3-(5-methyl-thiophen-2-yl)-allyl]-ammonium; iodide
  参考文献：
  名称：

  Synthesis and Structure of (E,E)-[6.2]-(2,5)thiophenophane-,5-diene: a new monomer for cyclopolymerization.

  摘要：

  Synthesis and characterization of the title compound (1) is described. UV and variable temperature H-1-NMR spectroscopy are used to deduce structural detail of 1 in solution and results are compared to its x-ray structure. 1 shows structural features favorable for cyclopolymerization to form polymers containing stacked aromatic rings.

  DOI：

  10.1016/s0040-4039(00)79044-7