3-(3-methoxyphenyl)-3-germatranylpropionic acid | 355018-26-7

• 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-(3-methoxyphenyl)-3-germatranylpropionic acid
• 英文别名: 3-(3-methoxyphenyl)-3-(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)propanoic acid
• CAS: 355018-26-7
• 化学式: C₁₆H₂₃GeNO₆
• 分子量: 397.952
• InChiKey: LCBMQSDOIFXHQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  77.46
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-(3-methoxyphenyl)-3-germatranylpropionic acid 、 三(新戊基)溴化锡 在 Et₃N 作用下， 以 丙酮 为溶剂， 以75%的产率得到tris(neopentyl)-(3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-3-germaniumsesquioxidepropionic acid 以 甲苯 为溶剂， 以90%的产率得到3-(3-methoxyphenyl)-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