(p-CH3C6H4)3GeCH(C6H5)CH(CH3)COOH | 448950-04-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (p-CH3C6H4)3GeCH(C6H5)CH(CH3)COOH
• CAS: 448950-04-7
• 化学式: C₃₁H₃₂GeO₂
• 分子量: 509.184
• InChiKey: PWMVGXYXZIWUHC-RNAHPLFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (p-CH3C6H4)3GeCH(C6H5)CH(CH3)COOH 、 二正丁基氧化锡 以 甲苯 为溶剂， 以72.8%的产率得到(n-butyl)2Sn[OOCCH(CH3)CH(C6H5)Ge(p-CH3C6H4)3]2
  参考文献：
  名称：

  Studies of bimetallic carboxylates: their synthesis, characterization, biological activity and X-ray structure

  摘要：

  Ten novel diorganotin dicarboxylates containing germanium in the carboxylate ligand have been synthesized and their structures have been characterized by IR, Mossbauer and multinuclear NMR (H-1, C-13, Sn-119) spectroscopies and X-ray diffraction. Also, the twodiastereotopic protons of the methylene group which are directly attached to the chiral center in these compounds have been successfully analyzed for the first time. The resulted ABX system gives three coupling constants and three chemical shifts. The single crystal X-ray analysis of precursor (p-CH3C6H4)(3)GeCH(p-CH3C6H4)CH2COOH revealed the dimeric structure of the molecule through H-bonding between carboxylic acid groups in a conventional manner. The results of their biological activity suggest that the materials have potential to be used as drugs. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.12.019