40,41-Dihydroxy-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaene-25,36-dicarbaldehyde | 449180-78-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 40,41-Dihydroxy-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaene-25,36-dicarbaldehyde
• CAS: 449180-78-3
• 化学式: C₃₈H₃₈O₉
• 分子量: 638.714
• InChiKey: HHTKYOZZFFZBNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  47
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-氨基苯硫醇 、 40,41-Dihydroxy-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaene-25,36-dicarbaldehyde 以 乙醇 、 溶剂黄146 为溶剂， 以59%的产率得到25,36-Bis(1,3-benzothiazol-2-yl)-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaene-40,41-diol
  参考文献：
  名称：

  A new fluorogenic benzothiazolyl ionophore based upon calix[4]arene-crown-5 ether for calcium determination in aqueous media

  摘要：

  A new benzothiazolyl functionalized ionophore based upon the cafix[4]arene-crown-5 ether has been prepared and its fluoroionophoric properties toward Ca2+ ions were investigated. The compound exhibited a pronouncedly selective fluoroionophoric behavior toward Ca2+ ions were among those surveyed physiologically important metal ions of Na+. K+. and Mg2+. Detection limit for Ca2+ ions was found to be 9x10(-5) M in dioxane water (80:20. v.v) solution. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00658-5
• 作为产物：
  描述：

  1,1-二氯甲醚 、 calix[4]arene-crown-5 在 四氯化锡 作用下， 以 氯仿 为溶剂， 生成 40,41-Dihydroxy-3,6,9,12,15-pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaene-25,36-dicarbaldehyde
  参考文献：
  名称：

  New ON–OFF type Ca2+-selective fluoroionophore having boron–dipyrromethene fluorophores

  摘要：

  A new fluorogenic ionophore has been prepared by conjugating calix[4]-crown-5 ether with boron-dipyrromethene fluorophore. The ionophore exhibited a pronounced selective ON-OFF type response toward Ca2+ ions over other physiologically important metal ions of Na+, K+, and Mg2+. The interaction with Ca2+ ions resulted in very efficient quenching of fluorescence at 507 nm excited by relatively long wavelength irradiation at 480 rim. The selectivity ratios toward Ca2+ ions over other tested physiologically important metal ions were larger than 180 in aqueous 95% MeOH solution. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.060