4,6,10,12,16,18,22,24-octahydroxy-5,11,17,19-tetrakis(3,5-di-tert-butyl-4-hydroxybenzyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene | 503529-24-6

• 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: 4,6,10,12,16,18,22,24-octahydroxy-5,11,17,19-tetrakis(3,5-di-tert-butyl-4-hydroxybenzyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
• 英文别名: 4,6,10,12,16,18,22,24-octahydroxy-5,11,17,23-tetra(3,5-di-tert-butyl-4-hydroxybenzyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3.7.1^9,13.1^15,19]-octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene；4,6,10,12,16,18,22,24-octahydroxy-5,11,17,19-tetra(3,5-di-tert-butyl-4-hydroxybenzyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene；5,11,17,19-tetrakis(3,5-di-tert-butyl-4-hydroxybenzyl)-4,6,10,18,22,24-octahydroxy-2,8,14,20-tetramethylpentacyclo[19.3.1.1.1^3,7.1^9,13.1^15,19]octacosa-1(25)3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene；5,11,17,23-Tetrakis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-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: 503529-24-6
• 化学式: C₉₂H₁₂₀O₁₂
• 分子量: 1417.96
• InChiKey: IKHJPEYJEGYQCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.8
• 重原子数：
  104
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  243
• 氢给体数：
  12
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  甲基膦酞二氯 、 4,6,10,12,16,18,22,24-octahydroxy-5,11,17,19-tetrakis(3,5-di-tert-butyl-4-hydroxybenzyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 32.0h， 以43%的产率得到
  参考文献：
  名称：

  Synthesis and some properties of tetrakis-3,5-di-tert-butyl-4-hydroxybenzylated calix[4]resorcinols

  摘要：

  A method for the synthesis of new calix[4]resorcinols tetra-3,5-di-tert-butyl-4-hydroxybenzyl derivatives is developed. Their interaction with methyldichlorophosphonate, dimethyldichlorosilane in the presence of a base leads to formation of organophosphorus-organosilicon cavitands. Acetylation of hydroxybenzylated calix[4]resorcinols with acetic anhydride leads to products of either incomplete or full acetylation depending on experimental conditions.

  DOI：

  10.1134/s1070363207030206
• 作为产物：
  描述：

  3,5-二-叔-丁基-4-羟基苄基乙酸酯 、 Calix[4]resorcinarene 在 甲酸 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以33%的产率得到4,6,10,12,16,18,22,24-octahydroxy-5,11,17,19-tetrakis(3,5-di-tert-butyl-4-hydroxybenzyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
  参考文献：
  名称：

  摘要：

  Upper-rim modification of tetramethylcalix[4]resorcinolarene with 3,5-di-tert-butyl-4-hydroxybenzyl fragments is accompanied by unusual decomposition of the macroring in the modified product with formation of 2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)resorcinol.

  DOI：

  10.1023/a:1026013430106

文献信息

• ——
  作者：S. V. Bukharov、G. N. Nugumanova、N. A. Mukmeneva、V. V. Syakaev、A. R. Burilov、M. A. Pudovik、A. I. Konovalov

  DOI：10.1023/a:1020825106933

  日期：——
• Calix[4]resorcinols as Stabilizers for Rubber Stocks Based on Butadiene-Acrylonitrile Rubbers
  作者：S. V. Bukharov、E. A. Teregulova、G. N. Nugumanova、N. A. Mukmeneva、F. K. Miryasova、A. R. Burilov、M. A. Pudovik、I. L. Nikolaeva、E. M. Kasymova、A. I. Konovalov

  DOI：10.1023/b:rjac.0000018704.06786.97

  日期：2003.11

  Modification of tetramethylcalix[4]resorcinol with dimethylaminomethyl and 3,5-di-tert-butyl-4-hydroxybenzyl fragments was studied. The antioxidative activity of these macrocyclic stabilizers in rubber stocks based on butadiene-acrylonitrile rubber was examined.
• Synthesis and some properties of tetrakis-3,5-di-tert-butyl-4-hydroxybenzylated calix[4]resorcinols
  作者：E. M. Kasymova、A. R. Burilov、N. A. Mukmeneva、S. V. Bukharov、G. N. Nugumanova、M. A. Pudovik、A. V. Chernova、R. R. Shagidullin、A. I. Konovalov

  DOI：10.1134/s1070363207030206

  日期：2007.3

  A method for the synthesis of new calix[4]resorcinols tetra-3,5-di-tert-butyl-4-hydroxybenzyl derivatives is developed. Their interaction with methyldichlorophosphonate, dimethyldichlorosilane in the presence of a base leads to formation of organophosphorus-organosilicon cavitands. Acetylation of hydroxybenzylated calix[4]resorcinols with acetic anhydride leads to products of either incomplete or full acetylation depending on experimental conditions.
• ——
  作者：S. V. Bukharov、G. N. Nugumanova、N. A. Mukmeneva、E. A. Teregulova、A. R. Burilov、M. A. Pudovik、I. L. Nikolaeva、E. M. Kasymova、A. I. Konovalov

  DOI：10.1023/a:1026013430106

  日期：——

  Upper-rim modification of tetramethylcalix[4]resorcinolarene with 3,5-di-tert-butyl-4-hydroxybenzyl fragments is accompanied by unusual decomposition of the macroring in the modified product with formation of 2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)resorcinol.