ethyl 2-[[11-[4-(diethylamino)-2-methylphenyl]imino-26,28-bis(2-ethoxy-2-oxoethoxy)-27-oxo-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,12,15,17,19(26),21,23-undecaenyl]oxy]acetate | 139056-18-1

• 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: ethyl 2-[[11-[4-(diethylamino)-2-methylphenyl]imino-26,28-bis(2-ethoxy-2-oxoethoxy)-27-oxo-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,12,15,17,19(26),21,23-undecaenyl]oxy]acetate
• CAS: 139056-18-1
• 化学式: C₅₁H₅₆N₂O₁₀
• 分子量: 857.013
• InChiKey: NJNBYANBOAXERE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.16
• 重原子数：
  63.0
• 可旋转键数：
  16.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  139.26
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  N4,N4-二乙基-2-甲基-1,4-苯二胺盐酸盐 在 potassium hexacyanoferrate(III) 作用下， 生成 ethyl 2-[[11-[4-(diethylamino)-2-methylphenyl]imino-26,28-bis(2-ethoxy-2-oxoethoxy)-27-oxo-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9,12,15,17,19(26),21,23-undecaenyl]oxy]acetate
  参考文献：
  名称：

  New chromoionophores based on indoaniline dyes containing calix[4]arene

  摘要：

  A new set of chromoionophores having indoaniline and calix[4]arene segments have been prepared, the ethylacetate derivative of which shows a high selectivity for Na+. Sodium ion binding induces a bathochromic shift in the absorption spectrum of this chromoionophore leading to the suggestion that this class of compounds could have potential use as an optical sensor for Na+ detection.

  DOI：

  10.1016/0040-4039(91)80122-m