5,11,17,23-Tetrakis(diethylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol | 134868-25-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,17,23-Tetrakis(diethylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
• CAS: 134868-25-0
• 化学式: C₅₂H₇₆N₄O₈
• 分子量: 885.197
• InChiKey: GKJKJEDPMZXNQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  64
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  175
• 氢给体数：
  8
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  羟基乙叉二膦酸 、 5,11,17,23-Tetrakis(diethylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol 以 水 为溶剂， 反应 12.0h， 以97%的产率得到
  参考文献：
  名称：

  New salt structures based on aminomethylated calix[4]-resorcinarenes and (1-hydroxyethane-1,1-diyl)bisphosphonic acid

  摘要：

  Aminomethylation of calix[4]resorcinarenes with (1-hydroxyethane-1,1-diyl)bisphosphonic acid afforded a series of new water soluble onium salts.

  DOI：

  10.1134/s1070428017020324
• 作为产物：
  描述：

  Calix[4]resorcinarene 、 聚合甲醛 以65%的产率得到
  参考文献：
  名称：

  NOLL, BERND;WEINELT, FRANK;WEINELT, HERBERT;HAUPTMANN, SIEGFRIED;MANN, GE+

  摘要：

  DOI：

文献信息

• Alkoxy-, Acyloxy-, and Bromomethylation of Resorcinarenes
  作者：Sami Nummelin、Deszö Falabu、Alexander Shivanyuk、Kari Rissanen

  DOI：10.1021/ol049179z

  日期：2004.8.1

  Reaction of resorcinarene octols with tris-hydroxymethylmethylamine (TRIS), formaldehyde, and alcohols results in tetraalkoxymethylation of the resorcinol rings. Harsh acylation of aminomethylated resorcinarenes with acid anhydrides leads to the complete acylation of eight hydroxyls and substitution of the amino versus acyloxy groups. Acyloxymethylated resorcinarene 6b can be transformed into a tetrabromomethylated

  间苯二酚辛醇与三羟甲基甲胺（TRIS），甲醛和醇的反应导致间苯二酚环的四烷氧基甲基化。氨基甲基化间苯二碳烯与酸酐的苛刻酰化作用会导致八个羟基的完全酰化作用，以及氨基与酰氧基的取代。通过与HBr在乙酸中反应，可以将酰氧基甲基化的间苯二甲烯6b转化为四溴甲基化的衍生物7。
• ——
  作者：A. R. Burilov、D. I. Kharitonov、N. I. Bashmakova、T. B. Makeeva、I. L. Nikolaeva、M. A. Pudovik、A. I. Konovalov

  DOI：10.1023/a:1026300817910

  日期：——

  A series of aminophosphino cavitands were synthesized by reactions of dialkylaminomethyl-substituted calix[4]resorcinolarenes with hexaalkylphosphorous triamides, and their properties were studied. New aminoalkylated (thio)phosphato(phosphonato) cavitands were prepared by phosphorylation of dialkylaminomethyl-substituted calix[4]resorcinolarenes with phosphorus(V) dichlorides in the presence of a base. Their reactions with electrophilic alkylating agents (methyl trifluoromethanesulfonate, methyl iodide, and triethyloxonium tetrafluoroborate) were examined.
• Synthesis and antioxidant activity of 3,5-di-tert-butyl-4-hydroxyphenylthiomethyltetraalkylcalix[4]resorcinarenes
  作者：G. N. Nugumanova、T. A. Barsukov、S. V. Bukharov、V. V. Syakaev、R. Ya. Deberdeev

  DOI：10.1134/s107036321509011x

  日期：2015.9

  Deamination of dimethyl- and diethylaminomethylated tetraalkylcalix[4]resorcinarenes with 3,5-di-tert-butyl-4-hydroxyphenylmercaptan afforded new 3,5-di-tert-butyl-4-hydroxyphenylthiomethyltetraalkylcalix-[4]resorcinarenes. High antioxidant activity of the synthesized alkylcalix[4]resorcinarenes was established in the model reaction of initiated oxidation of styrene.
• Synthesis of 3,5-di-tert-butyl-4-hydroxyphenylsulfanylmethyl-substituted tetramethylcalix[4]resorcinarenes
  作者：G. N. Nugumanova、T. A. Barsukova、S. V. Bukharov、A. R. Burilov、V. V. Syakaev、N. A. Mukmeneva

  DOI：10.1134/s1070428010070250

  日期：2010.7
• ——
  作者：A. T. Gubaidullin、I. L. Nikolaeva、D. I. Kharitonov、I. A. Litvinov、N. I. Bashmakova、A. R. Burilov、M. A. Pudovik、A. I. Konovalov

  DOI：10.1023/a:1015481804340

  日期：——

  The crystal and molecular structure of previously unknown dimethyl- and diethylaminomethylated calix[4]resorcinolarenes was determined by X-ray diffraction, The calixarene molecules occur in the crystal in the cone form, stabilized by the system of hydrogen bonds at the upper rim of the macrocycle. The crystal structure of the dimethylaminomethylated derivative includes 4.5 benzene molecules and an ethanol molecule per calixarene molecule. No solvent molecules are located inside the macrocycle cavity. In the structure of the diethylaminomethylated derivative there is one benzene molecule per calixarene molecule. The benzene molecule is located in the macrocycle cavity. The supramolecular structure of crystals is analyzed.