5,11,17,23-tetrakis(butylthiomethyl)-25,26,27,28-tetrapropoxycalix[4]arene | 444811-89-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-tetrakis(butylthiomethyl)-25,26,27,28-tetrapropoxycalix[4]arene
• 英文别名: 5,11,17,23-Tetrakis(butylsulfanylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
• CAS: 444811-89-6
• 化学式: C₆₀H₈₈O₄S₄
• 分子量: 1001.62
• InChiKey: ZXKFCAOLGSZXSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.9
• 重原子数：
  68
• 可旋转键数：
  32
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  potassium tetrachloropalladate(II) 、 5,11,17,23-tetrakis(butylthiomethyl)-25,26,27,28-tetrapropoxycalix[4]arene 以 盐酸 、 二氯甲烷 为溶剂， 以81.1%的产率得到[(palladium(II)chloride)2(5,11,17,23-tetrakis(butylthiomethyl)-25,26,27,28-tetrapropoxycalix[4]arene)]
  参考文献：
  名称：

  Pd(II) and Au(I) chloride complexes with tetrakis(butylthiomethyl)calix[4]arene: Synthesis and crystal structures

  摘要：

  Two novel complexes, (AuCl)(4)L-3 (I) and (PdCl2)(2)L-3 (II) (L-3 is calix[4]arene-thioether), were synthesized and their structures were determined. In complex I, one thioether group of molecule L-3 is coordinated to every Au atom. In complex II, the bidentate coordination of L-3 to the Pd atoms is observed; two thioether groups are in the trans-positions in the Pd square surrounding. Both complexes have the layered crystal lattices. In the Au complex, the layers are more stable due to the short contacts Au-Au (3.19-3.23 angstrom).

  DOI：

  10.1134/s1070328408050084