4,6,10,12,16,18,22,24-octahydroxy-2,8,14,20-tetrakis[4-(diethoxyphosphoryl)phenyl]pentacyclo[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 | 1140970-18-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4,6,10,12,16,18,22,24-octahydroxy-2,8,14,20-tetrakis[4-(diethoxyphosphoryl)phenyl]pentacyclo[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-2,8,14,20-tetrakis[4-(diethoxyphosphoryl)phenyl]pentacyclo[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-2,8,14,20-tetra[p-(diethoxyphosphoryl)phenyl]-pentacyclo[19.3.1(3,7).1(19,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecane
• CAS: 1140970-18-8
• 化学式: C₆₈H₇₆O₂₀P₄
• 分子量: 1337.23
• InChiKey: GHPVZDJKYWHAJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.93
• 重原子数：
  92.0
• 可旋转键数：
  24.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  303.96
• 氢给体数：
  8.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  rhodium(III) chloride trihydrate 、 4,6,10,12,16,18,22,24-octahydroxy-2,8,14,20-tetrakis[4-(diethoxyphosphoryl)phenyl]pentacyclo[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 以 乙醇 为溶剂， 生成 {[C₄H₄(C₆H₄PO(OEt)₂)₄]·[Rh₂(Ac)₄]}
  参考文献：
  名称：

  Rhodium complexation with phosphoryl-containing calix[4]resorcine

  摘要：

  Complexation of rhodium compounds with phosphoryl-containing calix[4]resorcine in ethanol and acetone has been considered. The structure and properties of the synthesized complexes have been studied by IR and Raman spectroscopy, H-1 and P-31 NMR, EPR, UV-Vis spectroscopy, and TG/DSC. The effect of the solvent nature and conformation of a macrocyclic ligand on the structure of the resulting complexes has been observed. It has been demonstrated that one of the key factors responsible for complexation in EtOH is self-association of the ligand without the participation of the solvent. Complex formation in acetone is determined by its high ionizing ability. In diamagnetic complexes, the macrocyclic ligand is coordinated to the central atom through the phosphoryl oxygen atoms. For triaquatrichlororhodium in an aprotic medium, coordination occurs through the oxygen atoms of resorcinol moieties, which is accompanied by the formation of resorcinol radical anion and conversion of the diethoxyphosphorylaryl groups into ethoxyhydroxyphosphorylaryl moieties.

  DOI：

  10.1134/s0036023616110085
• 作为产物：
  描述：

  、 亚磷酸三乙酯 在 nickel dibromide 作用下， 以 PhCN 为溶剂， 反应 3.0h， 生成 4,6,10,12,16,18,22,24-octahydroxy-2,8,14,20-tetrakis[4-(diethoxyphosphoryl)phenyl]pentacyclo[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：

  下缘含膦酸盐和膦片段的新型杯[4]间苯二酚

  摘要：

  详细阐述了在下缘带有膦酸盐和鏻碎片的杯[4]间苯二酚的两种合成方法。一种基于通过 4-取代苯甲醛与间苯二酚及其衍生物四重缩合合成辛醇的方法的方法。在另一种方法中，杯状菌素基质用作官能化的起始材料。这两种方法都基于在 Ni(II) 化合物存在下 P(III) 酸的衍生物磷酸化芳基卤化物的反应。磷酸化花萼[4]间苯二酚在上缘用胺基团进一步修饰。

  DOI：

  10.1080/10426500701764940

文献信息

• Synthesis of calix[4]resorcinarenes with phosphorylaryl substituents at the lower rim of the molecule
  作者：E. L. Gavrilova、A. A. Naumova、A. R. Burilov、M. A. Pudovik、E. A. Krasil’nikova、A. I. Konovalov

  DOI：10.1007/s11172-007-0371-y

  日期：2007.11

  Reaction of resorcinarenes with 4-phosphorylbenzaldehydes afforded calix[4]resorcinarenes, bearing phosphorylaryl substituents at the lower rim of the molecule.

  间苯二酚与 4-磷酰苯甲醛反应生成了钙[4]间苯二酚，其分子下缘带有磷酰取代基。
• Reaction of rhodium trichloride with P-functionalized calix[4]resorcinols in various media
  作者：E. V. Guseva、V. I. Morozov、D. T. Karimova、E. L. Gavrilova、A. A. Naumova、V. K. Polovnyak、E. A. Krasil’nikova

  DOI：10.1134/s1070363210010081

  日期：2010.1

  rhodium trichloride with calix[4]resorcinols modified with various types of phosphorus-containing groups in ethanol, ethanol-formate medium and acetone under an inert atmosphere were studied. Neutral complexes were isolated in the solid form, the solvent molecules were shown to be actively involved into the formation of the final reaction products. The compounds were characterized by IR, Raman, 31P NMR

  研究了三氯化铑与乙醇，乙醇甲酸酯介质和丙酮在惰性气氛下与各种含磷基团修饰的杯[4]间苯二酚改性的反应特性。分离出固体形式的中性络合物，溶剂分子显示出积极参与最终反应产物的形成。通过IR，拉曼，31 P NMR，ESR，X射线光电子和电子光谱以及电导率对化合物进行表征。通过元素分析，X射线荧光分析和衍生化的数据确认了组成。基于对ESR谱的分析，确定了从丙酮介质中分离出的顺磁性产物的电子和几何结构。