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-tetrapropylpentacyclo[19.3.1.13.7.19,13.115,19]-octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene | 1008753-86-3

• 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-5,11,17,23-tetra(3,5-di-tert-butyl-4-hydroxybenzyl)-2,8,14,20-tetrapropylpentacyclo[19.3.1.13.7.19,13.115,19]-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-tetrapropylpentacyclo[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-5,11,17,23-tetrakis-[3,5-di(tert-butyl)-4-hydroxybenzyl]-2,8,14,20-tetrapropylpentacyclo[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
• CAS: 1008753-86-3
• 化学式: C₁₀₀H₁₃₆O₁₂
• 分子量: 1530.17
• InChiKey: BZOAUZDJZQESKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.94
• 重原子数：
  112.0
• 可旋转键数：
  16.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  242.76
• 氢给体数：
  12.0
• 氢受体数：
  12.0

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-5,11,17,23-tetra(3,5-di-tert-butyl-4-hydroxybenzyl)-2,8,14,20-tetrapropylpentacyclo[19.3.1.13.7.19,13.115,19]-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， 以58%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 、 tetrapropylcalix[4]recorcinarene 在 甲酸 作用下， 以 丙酮 为溶剂， 以31%的产率得到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-tetrapropylpentacyclo[19.3.1.13.7.19,13.115,19]-octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
  参考文献：
  名称：

  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

文献信息

• Benzylation of tetraalkylcalix[4]resorcinols
  作者：E. M. Kasymova、A. R. Burilov、N. A. Mukmeneva、S. V. Bukharov、G. N. Nugumanova、A. R. Ibragimova、A. P. Timosheva、L. Ya. Zakharova、L. A. Kudryavtseva、M. A. Pudovik、A. I. Konovalov

  DOI：10.1007/s11172-009-0021-7

  日期：2009.1

  New amphiphilic benzylated calix[4]resorcinols were synthesized by the reaction of tetra-alkylcalix[4]resorcinols with 3,5-di(tert-butyl)-4-hydroxybenzyl acetate. The reaction pathway and the type of the products formed are determined by the structure of the alkyl substituent at the lower rim of tetraalkylcalix[4]resorcinols and the nature of acid used as a catalyst of the process. Self-organization

  通过四烷基杯[4]间苯二酚与3,5-二(叔丁基)-4-羟基苄基乙酸酯反应合成了新的两亲性苄基化杯[4]间苯二酚。反应途径和形成的产物类型由四烷基杯[4]间苯二酚下缘的烷基取代基的结构和用作该过程催化剂的酸的性质决定。研究了一些合成化合物在非极性介质中的自组织。