(p-CH3C6H4)3GeCH(p-CH3C6H4)CH2COOH | 146139-14-2

• 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(p-CH3C6H4)CH2COOH
• 英文别名: 3-(4-Methylphenyl)-3-tris(4-methylphenyl)germylpropanoic acid
• CAS: 146139-14-2
• 化学式: C₃₁H₃₂GeO₂
• 分子量: 509.184
• InChiKey: WDZXHZFVDUEVEF-UHFFFAOYSA-N

物化性质

• 熔点：
  216-217 °C
• 沸点：
  601.4±65.0 °C(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.19
• 重原子数：
  34
• 可旋转键数：
  7
• 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
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (p-CH3C6H4)3GeCH(p-CH3C6H4)CH2COOH 、 二正丁基氧化锡 以 甲苯 为溶剂， 以80.5%的产率得到(n-butyl)2Sn[OOCCH2CH(p-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
• 作为产物：
  描述：

  3-(4-methylphenyl)-3-trichlorogermylpropanoic acid 、 对甲苯基溴化镁 以 四氢呋喃 为溶剂， 生成 (p-CH3C6H4)3GeCH(p-CH3C6H4)CH2COOH
  参考文献：
  名称：

  Synthesis, Spectral (FT‐IR, ¹H, ¹³C, ¹¹⁹Sn) and Biological Studies of Bimetallic Trimethyltin(IV) Germapropionates: X‐Ray Structure of (CH₃)₃Sn(C₂₂H₂₁O₂Ge)

  摘要：

  New compounds of bimetallic trimethyltin(IV) germapropionates have been synthesized and characterized by elemental analyses, FT-IR, and multinuclear nmr (H-1,C-13,Sn-119) spectroscopies. These compounds show four-coordinated structure in solution and penta-coordinated structure in solid state. The crystal structure of representative compound, (CH3)(3)Sn(C-22 H-21 O-2 Ge), shows one dimensional polymeric penta-coordinated structure in its solid state. The synthesized compounds were subjected for a bioassay screening and show promising antibacterial and antifungal activities.

  DOI：

  10.1080/15533170701301470

文献信息

• Synthesis and structural characterization of several tris(2-methyl-2-phenylpropyl)tin carboxylates containing germanium
  作者：Xiaoniu Fang、Xueqing Song、Qinglan Xie

  DOI：10.1016/s0022-328x(00)00542-8

  日期：2001.1

  Thirteen tris(2-methyl-2-phenylpropyl)tin germylpropionates have been synthesized and their structures characterized by elemental analysis, IR, multinuclear NMR (1H, 13C, 119Sn) and MS spectroscopies. The structure of (PhC(CH3)2CH2)3SnO2CCH2CH(o-C6H4Cl)GePh3 has been determined by X-ray diffraction study, which indicated that the tin in the compound possess a tetrahedral geometry. Bioassay results

  合成了十三种三（2-甲基-2-苯基丙基）锡三甲基丙酸酯，并通过元素分析，IR，多核NMR（1 H，13 C，119 Sn）和MS光谱学对其结构进行了表征。通过X射线衍射研究确定了（PhC（CH 3）2 CH 2）3 SnO 2 CCH 2 CH（o -C 6 H 4 Cl）GePh 3的结构，表明该化合物中的锡具有四面体几何。生物测定结果表明，某些化合物具有良好的杀螨活性。
• Synthesis, Spectral and In Vitro Biological Studies of Bis‐Triorganogermyl(substituted)propionates of Triarylantimony(V) X‐ray Studies of Triphenylgermyl‐n‐propyl Propionic Acid
  作者：Muhammad Kaleem Khosa、Muhammad Mazhar、Saqib Ali、Sarim Dastgir、Masood Parvez、Farkhanda Shaheen、Abdul Malik、Shahid Mahboob Rana

  DOI：10.1080/15533170600862903

  日期：2006.8.1

  New compounds of Bis-triorganogermyl(substituted) propionates of triarylantimony(V) with general formula (R-1(3)-(GeCHRCH2CO2)-C-2) 2SbAr3 have been synthesized and characterized by various techniques such as elemental analyses; FT-IR, (HNMR)-H-1, (CNMR)-C-13 and mass spectrometry. All these compounds have distorted trigonal bipyramidal geometry around antimony in both solid states as well as in non-coordinated solvents. The single X-ray analysis of precursor triphenylgermyl-n-propyl propionic acid (Ph3GeCH-(n-C3H7)CH2COOH) have revealed dimeric structure of molecule through strong hydrogen bonding in conventional manner in which germanium has slightly distorted tetrahedral geometry. Selected numbers of compounds screened against different strains of bacteria and fungus show good activity.
• 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.