[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]phenylmethanone | 245125-21-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]phenylmethanone
• 英文别名: [4-(1,4,7,10,13-Pentaoxa-16-azacyclooctadec-16-yl)phenyl]-phenylmethanone
• CAS: 245125-21-7
• 化学式: C₂₅H₃₃NO₆
• 分子量: 443.54
• InChiKey: LSTYZXZULDYHJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  66.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]phenylmethanone 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 6.0h， 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：

  氮杂-18-冠醚-6 、 4-溴苯甲酰苯 在 palladium diacetate 、 三苯基膦 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以87%的产率得到[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]phenylmethanone
  参考文献：
  名称：

  Palladium-Catalyzed Synthesis of N-Aryl- and N-Heteroaryl-aza-crown Ethers via Cross-Coupling Reactions of Aryl- and Heteroaryl Bromides with Aza-crown Ethers

  摘要：

  DOI：

  10.1055/s-1999-2799

文献信息

• Palladium-Catalyzed Synthesis of <i>N</i>-Aryl- and <i>N</i>-Heteroaryl-aza-crown Ethers <i>via</i> Cross-Coupling Reactions of Aryl- and Heteroaryl Bromides with Aza-crown Ethers
  作者：Bernhard Witulski

  DOI：10.1055/s-1999-2799

  日期：1999.8
• Complex formation of 2,2-diphenyl-2H-benzo[f]chromene containing the aza-18-crown-6-ether fragment in the polymeric layer
  作者：V. B. Nazarov、O. A. Fedorova、S. B. Brichkin、T. M. Nikolaeva、S. P. Gromov、A. V. Chebun"kova、M. V. Alfimov

  DOI：10.1023/b:rucb.0000019883.50477.cc

  日期：2003.12

  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.