3-(2-tolyl)-3-(tri-4-tolylgermyl)propionic acid | 494869-99-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(2-tolyl)-3-(tri-4-tolylgermyl)propionic acid
• 英文别名: (p-CH3C6H4)3GeCH(o-CH3C6H4)CH2COOH
• CAS: 494869-99-7
• 化学式: C₃₁H₃₂GeO₂
• 分子量: 509.184
• InChiKey: TULAXYXWXISKPS-SSEXGKCCSA-N

物化性质

• 沸点：
  601.9±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.19
• 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：

  3-(2-tolyl)-3-(tri-4-tolylgermyl)propionic acid 、 二正丁基氧化锡 以 甲苯 为溶剂， 以83.7%的产率得到(n-butyl)2Sn[OOCCH2CH(o-C6H4CH3)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

文献信息

• Synthesis, structural characterization of some germanium substituted chiral diethyltin derivatives
  作者：Imtiaz-ud-Din、M. Mazhar、K.C. Molloy、Khalid M. Khan

  DOI：10.1016/j.jorganchem.2005.12.013

  日期：2006.4

  Some new bimetallic carboxylates of tin and germanium with general formula [C2H5](2)Sn[O2CCH2CH(R-2)GeR31] where R-1 = m-CH3C6H4, p-CH3C6H4, C6H5, R-2 = o-CH3C6H4, p-CH3C6H4, o-CH3OC6H4, C6H5, CH3, have been prepared by the condensation reaction of diethyltin oxide and triarygermyl(substituted)propanoic acid in 1:2 mole ratio, respectively, and characterized by multinuclear (H-1, C-13, Sn-119) NMR, Sn-119m Mossbauer and IR spectroscopy. The X-ray crystal structure of the ligand I-4[(C6H5)(3)GeCH(o-CH3OC6H4)CH2COOH] delineate four coordinated germanium atom with a peculiarity of having a molecule of solvent (CHCl3)The chiral center in the synthesized compounds was identified on the basis of H-1 NMR data and measurements of angle of rotations. (c) 2005 Elsevier B.V. All rights reserved.