10-butyl-3-(2,4-dimethyl-10H-phenothiazin-3-yl)-2,4-dimethylphenothiazine | 1206966-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 10-butyl-3-(2,4-dimethyl-10H-phenothiazin-3-yl)-2,4-dimethylphenothiazine
• CAS: 1206966-49-5
• 化学式: C₃₂H₃₂N₂S₂
• 分子量: 508.751
• InChiKey: QAJYNOLXABPZIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  65.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-二溴苯 、 10-butyl-3-(2,4-dimethyl-10H-phenothiazin-3-yl)-2,4-dimethylphenothiazine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 、 sodium t-butanolate 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以73.2%的产率得到3-(10-Butyl-2,4-dimethylphenothiazin-3-yl)-10-[4-[3-(10-butyl-2,4-dimethylphenothiazin-3-yl)-2,4-dimethylphenothiazin-10-yl]phenyl]-2,4-dimethylphenothiazine
  参考文献：
  名称：

  Synthesis and Magnetic Properties of Orthogonally Linked Phenothiazine Cation Radical Dimer and Tetramer

  摘要：

  A 3,3'-orthogonally linked phenothiazine cation radical dimer with methyl substituents at the 2, 2', 4, and 4' positions was synthesized. The climer was isolated as a stable product which exists in a triplet state due to a torsion angle of ca. 80 degrees between the two phenothiazine units. The tetramer was also synthesized by linking the dimers using a 1,4-phenylene spacer.

  DOI：

  10.1021/ol9025777
• 作为产物：
  描述：

  正溴丁烷 、 3-(2,4-dimethyl-10H-phenothiazin-3-yl)-2,4-dimethyl-10H-phenothiazine 在 四丁基硫酸氢铵 、 potassium carbonate 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以0.109 g的产率得到10-butyl-3-(2,4-dimethyl-10H-phenothiazin-3-yl)-2,4-dimethylphenothiazine
  参考文献：
  名称：

  Synthesis and Magnetic Properties of Orthogonally Linked Phenothiazine Cation Radical Dimer and Tetramer

  摘要：

  A 3,3'-orthogonally linked phenothiazine cation radical dimer with methyl substituents at the 2, 2', 4, and 4' positions was synthesized. The climer was isolated as a stable product which exists in a triplet state due to a torsion angle of ca. 80 degrees between the two phenothiazine units. The tetramer was also synthesized by linking the dimers using a 1,4-phenylene spacer.

  DOI：

  10.1021/ol9025777