2-(3',3'-Dimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-1'-yl)-1-(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)ethanone | 143445-43-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-(3',3'-Dimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-1'-yl)-1-(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)ethanone
• CAS: 143445-43-6
• 化学式: C₃₇H₄₇N₃O₈
• 分子量: 661.795
• InChiKey: PCYHQHGTSCVYDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  48
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,3,3-三甲基-3H-吲哚 在 sodium hydroxide 、 sodium iodide 作用下， 以 乙醇 为溶剂， 生成 2-(3',3'-Dimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-1'-yl)-1-(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)ethanone
  参考文献：
  名称：

  Alkali-metal cation recognition induced isomerization of spirobenzopyrans and spironaphthoxazins possessing a crown ring as a recognition site: multifunctional artificial receptors

  摘要：

  Spirobenzopyrans and spironaphthoxazins possessing a monoaza-crown ring were synthesized. Isomerization of these compounds to the open colored merocyanines was induced by recognition of alkali-metal cations and the selectivity of the coloration was found to be governed by several factors: (1) the size of the crown ring, (2) the position of recognition, (3) electric properties of both the complexed cations and the merocyanine dipoles, and (4) the length of the alkyl chains connecting the spirobenzopyran units and the crown units. The spirobenzopyrans represent rationally designed multifunctional artificial receptors for alkali-metal cations.

  DOI：

  10.1021/jo00046a019

文献信息

• Alkali-metal cation recognition induced isomerization of spirobenzopyrans and spironaphthoxazins possessing a crown ring as a recognition site: multifunctional artificial receptors
  作者：Masahiko Inouye、Masaru Ueno、Kikuo Tsuchiya、Naomi Nakayama、Takashi Konishi、Teijiro Kitao

  DOI：10.1021/jo00046a019

  日期：1992.9

  Spirobenzopyrans and spironaphthoxazins possessing a monoaza-crown ring were synthesized. Isomerization of these compounds to the open colored merocyanines was induced by recognition of alkali-metal cations and the selectivity of the coloration was found to be governed by several factors: (1) the size of the crown ring, (2) the position of recognition, (3) electric properties of both the complexed cations and the merocyanine dipoles, and (4) the length of the alkyl chains connecting the spirobenzopyran units and the crown units. The spirobenzopyrans represent rationally designed multifunctional artificial receptors for alkali-metal cations.