3-phenyl-3-germatranylpropionic acid | 106015-60-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-phenyl-3-germatranylpropionic acid
• 英文别名: 3-phenyl-3-(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)propanoic acid
• CAS: 106015-60-5
• 化学式: C₁₅H₂₁GeNO₅
• 分子量: 367.925
• InChiKey: DBMBSPLHRBKPKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  68.23
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-phenyl-3-germatranylpropionic acid 、 bis(trimethylsilylmethyl)dichlorostannane 以 乙醇 为溶剂， 以80%的产率得到bis(trimethylsilylmethyl)bis(3-phenyl-3-germatranyl)tin(IV) propionate
  参考文献：
  名称：

  SYNTHESIS AND CHARACTERIZATION OF DIORGANOTIN COMPOUNDS CONTAINING SILICON AND GERMANIUM AND CRYSTAL STRUCTURE OF PRECURSOR CARBOXY-ETHYLTRICHLOROGERMANIUM

  摘要：

  Eight compounds of general formula [R-1(CH3)(2)SiCH2](2)Sn-[O2CCH2(R-2)CHGeR33](2) [R-1 = CH3, C2H5; R-2 = C6H5, C6H4OMe-3/4, R-3 = CH3, N(CH2CH2O)(3)] have been synthesised from [R-1 (CH3)(2)SiCH2](2)SnCl2 and R-3(3) GeCH(R-2)CH2CO2H in the presence of triethylamine. (Me-3 CCH2)(3)SnO2CCH2(R-1)CHGe(R-2)(3) [R-1 = C6H5, C6H4OMe-3; R-2 = N(CH2CH2O)(3)] have been synthesised similarly from (Me3CCH2)(3)SnCl. The compounds have been characterised by H-1, C-13, Si-29 and Sn-119 NMR. The structure of a precursor, Cl3GeCH(Ph)CH2CO2H, has been re-determined and shown to be a hydrogen-bonded dimer rather than a monomer as previously described.

  DOI：

  10.1081/sim-100002047
• 作为产物：
  描述：

  三乙醇胺 、 3-phenyl-3-germaniumsesquioxidepropionic acid 以 甲苯 为溶剂， 以85%的产率得到3-phenyl-3-germatranylpropionic acid
  参考文献：
  名称：

  SYNTHESIS AND CHARACTERIZATION OF DIORGANOTIN COMPOUNDS CONTAINING SILICON AND GERMANIUM AND CRYSTAL STRUCTURE OF PRECURSOR CARBOXY-ETHYLTRICHLOROGERMANIUM

  摘要：

  Eight compounds of general formula [R-1(CH3)(2)SiCH2](2)Sn-[O2CCH2(R-2)CHGeR33](2) [R-1 = CH3, C2H5; R-2 = C6H5, C6H4OMe-3/4, R-3 = CH3, N(CH2CH2O)(3)] have been synthesised from [R-1 (CH3)(2)SiCH2](2)SnCl2 and R-3(3) GeCH(R-2)CH2CO2H in the presence of triethylamine. (Me-3 CCH2)(3)SnO2CCH2(R-1)CHGe(R-2)(3) [R-1 = C6H5, C6H4OMe-3; R-2 = N(CH2CH2O)(3)] have been synthesised similarly from (Me3CCH2)(3)SnCl. The compounds have been characterised by H-1, C-13, Si-29 and Sn-119 NMR. The structure of a precursor, Cl3GeCH(Ph)CH2CO2H, has been re-determined and shown to be a hydrogen-bonded dimer rather than a monomer as previously described.

  DOI：

  10.1081/sim-100002047

文献信息

• Synthesis, structures and in vitro antitumor activity of some germanium-substituted di-n-butyltin dipropionates
  作者：Song Xueqing、Yang Zhiqiang、Xie Qinglan、Li Jinshan

  DOI：10.1016/s0022-328x(98)00607-x

  日期：1998.9