2-aminomethyl-2-(thiophenylmethyl)-1-propanol | 164064-61-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-aminomethyl-2-(thiophenylmethyl)-1-propanol
• 英文别名: 2-(Aminomethyl)-2-methyl-3-phenylsulfanylpropan-1-ol
• CAS: 164064-61-3
• 化学式: C₁₁H₁₇NOS
• 分子量: 211.328
• InChiKey: IIYKWSOKXUPROR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  71.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis(di-μ-diethylamino-dimethylaluminium) 、 2-aminomethyl-2-(thiophenylmethyl)-1-propanol 以 二氯甲烷 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Reactions of Diethylaminodimethylaluminum Dimer with the Tripodal Ligands CH₃C(CH₂NH₂)₂(CH₂OH) and CH₃C(CH₂NH₂)(CH₂OH)(CH₂SPh):  Crystal Structure of [AlMe₂]₃Al[CH₃C(CH₂NH)₂(CH₂O)]₂

  摘要：

  Reactions of diethylaminodimethylaluminum dimer, [Me2Al(mu-NEt2)](2), with the tripodal ligands 2,2-bis(aminomethyl)-1-propanol, CH3C(CH2NH2)(2)(CH2OH), and 2-aminomethyl-2-(thiophenylmethyl)-1-propanol, CH3C(CH2NH2)(CH2OH)(CH2SPh), have yielded a tetranuclear organoaluminum compound {[AlMe2](3)[CH3C(CH2NH)(2)(CH2O)](2)Al} (1) and a trinuclear compound (AlMe2)(2)AlMe[CH3C(CH2NH)(CH2O)(CH2SPh)] (2), respectively. Both compounds were characterized by H-1 and C-13 NMR data, IR, and mass and elemental analysis. Compound 1 was also characterized by single-crystal X-ray diffraction analysis. Compound 1 crystallized in a tetragonal space group P4(1)2(1)2 (No. 92), with cell parameters a = 10.238(2) Angstrom, c = 24.470(2) Angstrom, V = 2565(1) Angstrom(3), Z = 4, and R = 0.060. It appears that the central aluminum atom is surrounded by two tripodal ligands in an octahedral geometry, whereas the other three aluminum atoms act to bridge the two ligands. Compound 2 has a pentacoordinated aluminum center surrounded by two tripodal ligands and one methyl group. The sulfur atoms on the tripodal ligand were not coordinated to the central aluminum atom.

  DOI：

  10.1021/ic971084o