5,11,17,26-tetrahexyl-3,7,9,13,15,19-hexahydroxy-22,24-dioxa-23-phospha[19.3.3.1^4,2,5.1^6,10.1^12,16.1^18,26]hexacyclotriginta[1,3,6,8,12,14,18,20,10(29),16(28),26(27),25(30)]dodecaene

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,17,26-tetrahexyl-3,7,9,13,15,19-hexahydroxy-22,24-dioxa-23-phospha[19.3.3.1^4,2,5.1^6,10.1^12,16.1^18,26]hexacyclotriginta[1,3,6,8,12,14,18,20,10(29),16(28),26(27),25(30)]dodecaene
• 英文别名: 20-ethyl-2,8,14,27-tetrahexyl-19,21-dioxa-20-phosphahexacyclo[13.9.5.1^3,7.0^9,13.0^18,28.0^22,26]hentriaconta-1(24),3(31),4,6,9(30),10,12,15(29),16,18(28),22,25-dodecaene-4,6,10,12,16,24-hexaol；20-Ethyl-2,8,14,27-tetrahexyl-19,21-dioxa-20-phosphahexacyclo[13.9.5.13,7.19,13.018,28.022,26]hentriaconta-1(25),3,5,7(31),9(30),10,12,15(29),16,18(28),22(26),23-dodecaene-4,6,10,12,16,24-hexol
• 化学式: C₅₄H₇₅O₈P
• 分子量: 883.158
• InChiKey: HSVYCTPKHZWDSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.9
• 重原子数：
  63
• 可旋转键数：
  21
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  140
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Pentaethylphosphonous diamide 、 tetrahexylcalix[4]resorcinarene 以 甲苯 为溶剂， 生成 5,11,17,26-tetrahexyl-3,7,9,13,15,19-hexahydroxy-22,24-dioxa-23-phospha[19.3.3.1^4,2,5.1^6,10.1^12,16.1^18,26]hexacyclotriginta[1,3,6,8,12,14,18,20,10(29),16(28),26(27),25(30)]dodecaene
  参考文献：
  名称：

  摘要：

  Calix[4]resorcinarene reacts with N,N,N',N'-tetraethyl-P-ethylphosphonous diamide to give dioxaphosphocines, whose hydrolysis with "intracavity" water yields phosphinoyl derivative of calix[4]resorcinarene.

  DOI：

  10.1023/a:1011306105513

文献信息

• ——
  作者：S. A. Terent'eva、I. L. Nikolaeva、A. R. Burilov、D. I. Kharitonov、E. V. Popova、M. A. Pudovik、I. A. Litvinov、A. T. Gubaidullin、A. I. Konovalov

  DOI：10.1023/a:1012365203479

  日期：——

  By reaction of calix[4]resorcinarene with 2-ethyl-1,3,2-benzoxazaphospholine in 1:1 ratio we prepared a cavitand possessing one dioxaphosphocinic fragment on the upper circle of the molecule. Reaction of the same compounds in ether solution in 1:4 and 1:8 ratio according to the data of spectral methods leads initially to formation of addition product, the P-H phosphorane with composition 1:4. This compound is not stable and on keeping forms 2-oxo-2-ethyl-1,3,2-benzoxazaphospholine, spirophosphorane, omicron -aminophenol and phosphorylated calixarene. In the reaction of the aminoalkylated calixarene with 2-ethyl-1,3,2-benzoxazaphospholine we isolated a compound possessing four hydrophoshonyl fragments on the upper circle of the calixarene matrix.
• Nikolaeva; Terent'eva; Burilov, Russian Journal of General Chemistry, 2000, vol. 70, # 2, p. 312 - 313
  作者：Nikolaeva、Terent'eva、Burilov、Kharitonov、Pudovik、Pudovik、Konovalov

  DOI：——

  日期：——
• ——
  作者：I. L. Nikolaeva、A. R. Burilov、M. A. Pudovik、W. D. Habicher、A. I. Konovalov

  DOI：10.1023/a:1011306105513

  日期：——

  Calix[4]resorcinarene reacts with N,N,N',N'-tetraethyl-P-ethylphosphonous diamide to give dioxaphosphocines, whose hydrolysis with "intracavity" water yields phosphinoyl derivative of calix[4]resorcinarene.