7H,23H-34,39-etheno-6,43;24,30-dimethenotribenzo[o,v,g][1,4,7,11,34]trioxadiazacycloheptatriacontine-7,23-dione-8,9,10,11,13,14,16,17,19,20,21,22,31,32,33,40,41,42-octadecahydro-44,45,46,47-tetrahydroxy-32,41-bis(methylene) | 898264-08-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7H,23H-34,39-etheno-6,43;24,30-dimethenotribenzo[o,v,g][1,4,7,11,34]trioxadiazacycloheptatriacontine-7,23-dione-8,9,10,11,13,14,16,17,19,20,21,22,31,32,33,40,41,42-octadecahydro-44,45,46,47-tetrahydroxy-32,41-bis(methylene)
• 英文别名: 50,51,52,53-Tetrahydroxy-3,41-dimethylidene-19,22,25-trioxa-15,29-diazaheptacyclo[41.6.2.15,13.131,39.06,11.033,38.044,49]tripentaconta-1(50),5(53),6,8,10,12,31,33,35,37,39(52),43(51),44,46,48-pentadecaene-14,30-dione；50,51,52,53-tetrahydroxy-3,41-dimethylidene-19,22,25-trioxa-15,29-diazaheptacyclo[41.6.2.15,13.131,39.06,11.033,38.044,49]tripentaconta-1(50),5(53),6,8,10,12,31,33,35,37,39(52),43(51),44,46,48-pentadecaene-14,30-dione
• CAS: 898264-08-9
• 化学式: C₅₀H₅₂N₂O₉
• 分子量: 824.971
• InChiKey: BYJVFKRIKDRUTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  61
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  167
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7H,23H-34,39-etheno-6,43;24,30-dimethenotribenzo[o,v,g][1,4,7,11,34]trioxadiazacycloheptatriacontine-7,23-dione-8,9,10,11,13,14,16,17,19,20,21,22,31,32,33,40,41,42-octadecahydro-44,45,46,47-tetrahydroxy-32,41-bis(methylene) 、 pyren-4-ylboronic acid 在 molecular sieve 4A 作用下， 以 氯仿 为溶剂， 生成 7H,23H-34,39-etheno-6,43;24,30-dimethenotribenzo[o,v,g][1,4,7,11,34]trioxadiazacycloheptatriacontine-7,23-boropyrene-8,9,10,11,13,14,16,17,19,20,21,22,31,32,33,40,41,42-octadecahydro-44,45,46,47-tetrahydroxy-32,41-bis(methylene)
  参考文献：
  名称：

  Comparative study of fluoride selective PVC based electrochemical sensors

  摘要：

  Four ligands (M-1-M-4) have been synthesized and characterized by IR, H-1 NMR, spectroscopic investigations indicate good affinity of these ligands for fluoride anion. Different polyvinyl chloride (PVC) based membranes of ligands have been synthesized using different cationic excluders; CTAB, TDMAC, HTAB, ToMACl and plasticizers; DBBP, DBP, o-NPOE, CN, DOP, TEHB and investigated as F- selective sensors. The best performance is observed by the sensor with a membrane of composition (%, w/w) M-1:PVC:o-NPOE:CTAB 3.5:30.0:63.0:3.5. The sensor generates linear potential response over a wide concentration range of 2.5 x 10(-7) to 1.0 x 10(-2) M with Nernstian slope (59.8 mV decade(-1) of activity) over a pH range of 2.5-6.5 with a fast response time of similar to 11 s. It shows good selectivity for fluoride anion (F-) in preference to many anions. The sensor exhibits a shelf life of two and half months and could be successfully used for the comparative determination of fluoride in different Indian tea samples. The proposed method is faster, cheaper, and more accurate in comparison to already used methods. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2012.07.026
• 作为产物：
  描述：

  4,7,10-三氧-1,13-十三烷二胺 在 三乙胺 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 1.0h， 生成 7H,23H-34,39-etheno-6,43;24,30-dimethenotribenzo[o,v,g][1,4,7,11,34]trioxadiazacycloheptatriacontine-7,23-dione-8,9,10,11,13,14,16,17,19,20,21,22,31,32,33,40,41,42-octadecahydro-44,45,46,47-tetrahydroxy-32,41-bis(methylene)
  参考文献：
  名称：

  Fluorescence-responsive H₂PO₄⁻Receptor Based on Macrocyclic Boron Complex

  摘要：

  大环硼配合物通过氢键网络、Lewis酸碱相互作用及PET抑制作用，对H2PO4−表现出选择性的荧光响应。

  DOI：

  10.1246/cl.2006.536

文献信息

• Fluorescence-responsive H₂PO₄⁻Receptor Based on Macrocyclic Boron Complex
  作者：Naohiro Kameta、Kazuhisa Hiratani

  DOI：10.1246/cl.2006.536

  日期：2006.5

  Macrocyclic boron complex showed selective fluorescence response toward H2PO4− via hydrogen-bond network, Lewis acid–base interaction, and inhibition of PET.

  大环硼配合物通过氢键网络、Lewis酸碱相互作用及PET抑制作用，对H2PO4−表现出选择性的荧光响应。
• Comparative study of fluoride selective PVC based electrochemical sensors
  作者：Vinod Kumar Gupta、Ajay K. Jain、Manoj K. Pal、Arvind K. Bharti

  DOI：10.1016/j.electacta.2012.07.026

  日期：2012.10

  Four ligands (M-1-M-4) have been synthesized and characterized by IR, H-1 NMR, spectroscopic investigations indicate good affinity of these ligands for fluoride anion. Different polyvinyl chloride (PVC) based membranes of ligands have been synthesized using different cationic excluders; CTAB, TDMAC, HTAB, ToMACl and plasticizers; DBBP, DBP, o-NPOE, CN, DOP, TEHB and investigated as F- selective sensors. The best performance is observed by the sensor with a membrane of composition (%, w/w) M-1:PVC:o-NPOE:CTAB 3.5:30.0:63.0:3.5. The sensor generates linear potential response over a wide concentration range of 2.5 x 10(-7) to 1.0 x 10(-2) M with Nernstian slope (59.8 mV decade(-1) of activity) over a pH range of 2.5-6.5 with a fast response time of similar to 11 s. It shows good selectivity for fluoride anion (F-) in preference to many anions. The sensor exhibits a shelf life of two and half months and could be successfully used for the comparative determination of fluoride in different Indian tea samples. The proposed method is faster, cheaper, and more accurate in comparison to already used methods. (C) 2012 Elsevier Ltd. All rights reserved.