4-methylphenylazo-(2-chloroethylthio)benzene | 145277-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 4-methylphenylazo-(2-chloroethylthio)benzene
• 英文别名: p-tolyl-o'-(2-chloroethylthio)azobenzene
• CAS: 145277-37-8
• 化学式: C₁₅H₁₅ClN₂S
• 分子量: 290.817
• InChiKey: DLMLVACHODHHII-ISLYRVAYSA-N

物化性质

• 沸点：
  421.8±35.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.74
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-氨基苯硫醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium ethanolate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 10.25h， 生成 4-methylphenylazo-(2-chloroethylthio)benzene
  参考文献：
  名称：

  Synthesis and structure of a thioazobenzene palladacycle: Oxygen insertion into the PdC bond by m-chloroperbenzoic acid

  摘要：

  The reaction of p-tolyl-o'-(2-chloroethylthio)azobenzene (LH-1)with Na2PdCl4 affords the complex PdL1Cl, the structure of which has been determined by X-Tay crystallography. The azobenzene ligand acts in the tridentate (C,N,S) fashion and the fourth coordination position is occupied by the chloride ion. In the lattice, the PdL1Cl molecules are present as loose dimers of parallel Pd(C,N,S)Cl units, the Pd ... Pd distance being 3.357(2) angstrom. Reaction of PdL1Cl with m-chloroperbenzoic acid leads to insertion of oxygen into the Pd-C bond to give the corresponding phenolato complex. The insertion reaction is of first order with respect to each of the reactants, and has a large negative entropy of activation. A plausible mechanism is proposed. The structure and properties of PdL1Cl are compared with those of related species.

  DOI：

  10.1016/0022-328x(92)80056-4