| 143286-23-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 143286-23-1
• 化学式: C₁₇H₁₆N₄O₂S
• 分子量: 340.406
• InChiKey: CHKZYLVAVODRLL-NADBREJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  68.31
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  1,2,3-Triazabutadiene. XXII. Photochemie der 1-(Carbmethoxy-aryl)- und 1-(Carboxy-aryl)-3-(3-alkyl-benzthiazolinyliden-(2))-triazene als potentielle CEL-Farbstoffe

  摘要：

  1-(Carbmethoxy-aryl)-3-(3-alkyl-benzthiazolinyliden-(2))-triazenes (ester-triazenes) (1) were synthesized by coupling of substituted 3-alkyl-2-imino-benzthiazolines-(1,3) with 2-, 3- and 4-carbmethoxy-benzenediazonium salts. The Z-isomers obtained can be transformed into the E-isomers 2 photochemically or by heating. In the presence of acids the E-ester-triazenes are protonated. From the E-ester-triazenes the potassium-salts (4) can be produced by alkaline ester hydrolysis. With hydrochloric acid the E-triazene-potassium salts (4) can be transformed into the protonated (at the N(1)Atom) E-acid-triazenes (5). Their photochemical properties are identical with those of the protonated E-ester-triazenes (3). The 1-(carboxy-aryl)-3-(3-alkyl-benzthiazolinyliden-(2))triazines (E-acid-triazenes) (6) can be obtained from the protonated derivates by deprotonation in the presence of water. The photochemical behaviour of the E-acid-triazenes (6) and of the E-triazene-potassium-salts (4) depends on the position of the carboxy-group (2-position: photolysis, 3- and 4-position: photoisomerization). The uv/vis-spectroscopical and photochemical properties of the triazene-derivates in solution and in polymeric layers are discussed.

  DOI：

  10.1002/prac.19923340308
• 作为产物：
  描述：

  以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  1,2,3-Triazabutadiene. XXII. Photochemie der 1-(Carbmethoxy-aryl)- und 1-(Carboxy-aryl)-3-(3-alkyl-benzthiazolinyliden-(2))-triazene als potentielle CEL-Farbstoffe

  摘要：

  1-(Carbmethoxy-aryl)-3-(3-alkyl-benzthiazolinyliden-(2))-triazenes (ester-triazenes) (1) were synthesized by coupling of substituted 3-alkyl-2-imino-benzthiazolines-(1,3) with 2-, 3- and 4-carbmethoxy-benzenediazonium salts. The Z-isomers obtained can be transformed into the E-isomers 2 photochemically or by heating. In the presence of acids the E-ester-triazenes are protonated. From the E-ester-triazenes the potassium-salts (4) can be produced by alkaline ester hydrolysis. With hydrochloric acid the E-triazene-potassium salts (4) can be transformed into the protonated (at the N(1)Atom) E-acid-triazenes (5). Their photochemical properties are identical with those of the protonated E-ester-triazenes (3). The 1-(carboxy-aryl)-3-(3-alkyl-benzthiazolinyliden-(2))triazines (E-acid-triazenes) (6) can be obtained from the protonated derivates by deprotonation in the presence of water. The photochemical behaviour of the E-acid-triazenes (6) and of the E-triazene-potassium-salts (4) depends on the position of the carboxy-group (2-position: photolysis, 3- and 4-position: photoisomerization). The uv/vis-spectroscopical and photochemical properties of the triazene-derivates in solution and in polymeric layers are discussed.

  DOI：

  10.1002/prac.19923340308