16-[4-(2-phenyl-2H-benzo[f]chromen-2-yl)phenyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane | 753454-06-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 16-[4-(2-phenyl-2H-benzo[f]chromen-2-yl)phenyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
• 英文别名: 16-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
• CAS: 753454-06-7
• 化学式: C₃₇H₄₁NO₆
• 分子量: 595.736
• InChiKey: CHHFOBYGRTWCMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  44
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  16-[4-(2-phenyl-2H-benzo[f]chromen-2-yl)phenyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane 以 various solvent(s) 为溶剂， 生成 1-[(E)-3-[4-(1,4,7,10,13-Pentaoxa-16-aza-cyclooctadec-16-yl)-phenyl]-3-phenyl-prop-2-en-(Z)-ylidene]-1H-naphthalen-2-one
  参考文献：
  名称：

  Complex formation of 2,2-diphenyl-2H-benzo[f]chromene containing the aza-18-crown-6-ether fragment in the polymeric layer

  摘要：

  The synthesis of 2,2-diphenyl-2H-benzo[f]chromene containing the aza-18-crown-6-ether fragment was described. Its complex formation with alkaline-earth metal ions in dibutyl phthalate and the polymeric gelatin film was investigated. The treatment of the layers containing the ionophore mentioned with aqueous solutions of the corresponding salts in the presence of NaBPh4 as the phase transfer catalyst results in the extraction of the metal cation into the polymeric layer due to complex formation with crown-containing benzo[f]chromene. The complex formation is accompanied by changes in the spectroscopic characteristics of chromene in the closed and open forms and an increase in the lifetime of the merocyanine form. The effects obtained depend on the metal cation concentration in a solution and the time of layer treatment.

  DOI：

  10.1023/b:rucb.0000019883.50477.cc
• 作为产物：
  描述：

  N-Phenylaza<18>krone-6 在 对甲苯磺酸 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 10.0h， 生成 16-[4-(2-phenyl-2H-benzo[f]chromen-2-yl)phenyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
  参考文献：
  名称：

  Complex formation of 2,2-diphenyl-2H-benzo[f]chromene containing the aza-18-crown-6-ether fragment in the polymeric layer

  摘要：

  The synthesis of 2,2-diphenyl-2H-benzo[f]chromene containing the aza-18-crown-6-ether fragment was described. Its complex formation with alkaline-earth metal ions in dibutyl phthalate and the polymeric gelatin film was investigated. The treatment of the layers containing the ionophore mentioned with aqueous solutions of the corresponding salts in the presence of NaBPh4 as the phase transfer catalyst results in the extraction of the metal cation into the polymeric layer due to complex formation with crown-containing benzo[f]chromene. The complex formation is accompanied by changes in the spectroscopic characteristics of chromene in the closed and open forms and an increase in the lifetime of the merocyanine form. The effects obtained depend on the metal cation concentration in a solution and the time of layer treatment.

  DOI：

  10.1023/b:rucb.0000019883.50477.cc