iso-propylthiolatodichloroaluminum | 19393-52-3

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: iso-propylthiolatodichloroaluminum
• 英文别名: Propan-2-ylsulfanylaluminum(2+);dichloride
• CAS: 19393-52-3
• 化学式: C₃H₇AlCl₂S
• 分子量: 173.042
• InChiKey: UFNNUGMGGXRVRW-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -4.78
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  iso-propylthiolatodichloroaluminum 、 lithium cyclopentadienide 以 正己烷 为溶剂， 以73%的产率得到[Cp(Cl)Al(μ-S(i)Pr)]2
  参考文献：
  名称：

  Cyclopentadienylaluminum thiolates – synthesis and structure

  摘要：

  The dicyclopentadienylaluminum thiolates [Cp2Al(mu-SR)](2), where R = Et (1),Pr-i (2), were obtained by reacting Cl2AlSR with CpNa at the molar ratio 1:2, respectively. Use of CpLi instead of CpNa at the same molar ratio of reagents leads to the formation of cyclopentadienyl(chloro)aluminum thiolates [Cp(C1)Al(mu-SR)](2), exclusively, where R = Et (3), Pr-i (4), Bu-i (5), and Bu-n (6). The compounds were characterized by H-1, C-13, and Al-27 NMR spectroscopy. The structures of the compounds 1 and 4 were determined by X-ray crystallography. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.10.057