(p-CH3C6H4)3GeCH(m-CH3OC6H4)CH2COOH | 945655-67-4

• 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(m-CH3OC6H4)CH2COOH
• 英文别名: 3-(3-Methoxyphenyl)-3-tris(4-methylphenyl)germylpropanoic acid
• CAS: 945655-67-4
• 化学式: C₃₁H₃₂GeO₃
• 分子量: 525.183
• InChiKey: SQXTWWVADHDGMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.89
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (p-CH3C6H4)3GeCH(m-CH3OC6H4)CH2COOH 、 triphenylantimony dibromide 在 NEt₃ 作用下， 以 甲苯 为溶剂， 以71%的产率得到[(p-CH3C6H4)3GeCH(m-CH3OC6H4)CH2COO]2(antimony)Ph3
  参考文献：
  名称：

  Synthesis, Spectral and In Vitro Biological Studies of Bis‐Triorganogermyl(substituted)propionates of Triarylantimony(V) X‐ray Studies of Triphenylgermyl‐n‐propyl Propionic Acid

  摘要：

  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.

  DOI：

  10.1080/15533170600862903
• 作为产物：
  描述：

  、 对甲苯基溴化镁 以 四氢呋喃 为溶剂， 生成 (p-CH3C6H4)3GeCH(m-CH3OC6H4)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