| 1400991-94-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• CAS: 1400991-94-7
• 化学式: C₂₂H₂₇ClO₆
• 分子量: 422.906
• InChiKey: FVTONOPEECPIQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  29.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  74.22
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 tetraphosphorus decasulfide 、 nickel(II) chloride hexahydrate 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以51%的产率得到
  参考文献：
  名称：

  The Synthesis of Novel Asymmetrical Benzoins and Bis(dithiobenzil) Metal Complex Dyes Containing Ethoxyethoxy Groups and Their Absorption Characteristics

  摘要：

  Asymmetrical bis(dithiobenzil) metal complex (BMC), as a NIR(Near Infra-Red) absorbing dye, was synthesized via preparation of asymmetric benzoin intermediates. Four synthesized dyes were characterized by elemental analyses and GC-Mass, H-1-NMR(nuclear magnetic resonance) analysis. The absorption characteristics of the synthesized dyes in the NIR region were measured using UV-VIS spectrophotometer. Maximum absorbing wavelength was shifted depending on the character and position of substituents in the bis(dithobenzil) metal complex.

  DOI：

  10.1080/15421406.2012.691676
• 作为产物：
  描述：

  3,4-二羟基苯甲醛 在 potassium cyanide 、 sodium carbonate 、 potassium iodide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  The Synthesis of Novel Asymmetrical Benzoins and Bis(dithiobenzil) Metal Complex Dyes Containing Ethoxyethoxy Groups and Their Absorption Characteristics

  摘要：

  Asymmetrical bis(dithiobenzil) metal complex (BMC), as a NIR(Near Infra-Red) absorbing dye, was synthesized via preparation of asymmetric benzoin intermediates. Four synthesized dyes were characterized by elemental analyses and GC-Mass, H-1-NMR(nuclear magnetic resonance) analysis. The absorption characteristics of the synthesized dyes in the NIR region were measured using UV-VIS spectrophotometer. Maximum absorbing wavelength was shifted depending on the character and position of substituents in the bis(dithobenzil) metal complex.

  DOI：

  10.1080/15421406.2012.691676