(m-CH3C6H4)3GeCH(C6H5)CH2COOH | 678995-91-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (m-CH3C6H4)3GeCH(C6H5)CH2COOH
• 英文别名: 3-Phenyl-3-tris(3-methylphenyl)germylpropanoic acid；3-phenyl-3-tris(3-methylphenyl)germylpropanoic acid
• CAS: 678995-91-0
• 化学式: C₃₀H₃₀GeO₂
• 分子量: 495.157
• InChiKey: KADQVJUMWQHPHC-UHFFFAOYSA-N

物化性质

• 熔点：
  131-133 °C
• 沸点：
  609.4±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.88
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (m-CH3C6H4)3GeCH(C6H5)CH2COOH 、 二乙基氧化锡 以 甲苯 为溶剂， 以72%的产率得到bis[3-(tri-m-tolylgermyl)-3-phenylpropionato]diethyltin(IV)
  参考文献：
  名称：

  Synthesis, structural characterization of some germanium substituted chiral diethyltin derivatives

  摘要：

  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.

  DOI：

  10.1016/j.jorganchem.2005.12.013