| 1131218-49-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1131218-49-9
• 化学式: Br*C₁₃H₁₆IN₂
• 分子量: 407.092
• InChiKey: STDOITXECBLOAS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.08
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 bis(trifluoromethane)sulfonimide lithium 以 水 为溶剂， 生成 2-ethyl-5-iodo-3,4-dimethyl-2-phenyl-1H-imidazolium Tf2N
  参考文献：
  名称：

  Photo-, Solvent-, and Ion-Controlled Multichromism of Imidazolium-Substituted Diarylethenes

  摘要：

  AbstractSeeing red: Imidazolium‐substituted diarylethenes show solvent‐ and ion‐controlled chromisms in addition to reversible photochromic reactions. The shift of equilibrium between two closed‐ring isomers with different π‐conjugation length by interaction with nucleophilic species is responsible for the multichromic property (see scheme).magnified imageCationic diarylethenes with an imidazolium ring are synthesized for the first time. The imidazolium cationic moiety is connected directly to the ethene unit as one of the aryl units that take part in the photoinduced pericyclization reaction. The imidazolium‐substituted diarylethenes undergo reversible photochromic reactions in a variety of organic media, including ionic liquids, even though they have a delocalized cationic charge in one of the five‐membered aromatic rings. The closed‐ring isomer shows solvatochromism depending on the solvent donor numbers. Addition of some tetraalkylammonium salts, such as tetrabutyl ammonium nitrate, into the colored organic solution of diarylethene also causes a color change, indicating its ionochromic property. These solvato‐ and ionochromic properties are considered in connection with the shift of chemical equilibrium between the closed‐ring isomers, one with an extended π‐conjugation system and one with limited π‐conjugation due to the strong interaction with solvent molecules and anions with high donor number.

  DOI：

  10.1002/chem.200801192
• 作为产物：
  描述：

  4-iodo-1,5-dimethyl-2-phenyl-1H-imidazole 、 溴乙烷 生成
  参考文献：
  名称：

  Photo-, Solvent-, and Ion-Controlled Multichromism of Imidazolium-Substituted Diarylethenes

  摘要：

  AbstractSeeing red: Imidazolium‐substituted diarylethenes show solvent‐ and ion‐controlled chromisms in addition to reversible photochromic reactions. The shift of equilibrium between two closed‐ring isomers with different π‐conjugation length by interaction with nucleophilic species is responsible for the multichromic property (see scheme).magnified imageCationic diarylethenes with an imidazolium ring are synthesized for the first time. The imidazolium cationic moiety is connected directly to the ethene unit as one of the aryl units that take part in the photoinduced pericyclization reaction. The imidazolium‐substituted diarylethenes undergo reversible photochromic reactions in a variety of organic media, including ionic liquids, even though they have a delocalized cationic charge in one of the five‐membered aromatic rings. The closed‐ring isomer shows solvatochromism depending on the solvent donor numbers. Addition of some tetraalkylammonium salts, such as tetrabutyl ammonium nitrate, into the colored organic solution of diarylethene also causes a color change, indicating its ionochromic property. These solvato‐ and ionochromic properties are considered in connection with the shift of chemical equilibrium between the closed‐ring isomers, one with an extended π‐conjugation system and one with limited π‐conjugation due to the strong interaction with solvent molecules and anions with high donor number.

  DOI：

  10.1002/chem.200801192