trimesityllead bromide | 103213-71-4

• 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: trimesityllead bromide
• 英文别名: (mesityl)3PbBr；Bromo-tris(2,4,6-trimethylphenyl)plumbane
• CAS: 103213-71-4
• 化学式: C₂₇H₃₃BrPb
• 分子量: 644.663
• InChiKey: LAWFKHMSMXLZPG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.82
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  LiC6H2Me3-2,4,6 LiBr 、 lead(II) chloride 以 四氢呋喃 、 乙醚 为溶剂， 以44%的产率得到trimesityllead bromide
  参考文献：
  名称：

  Crystal structures, semiempirical PM3 calculations and NMR studies of trimesityllead bromide and dimesityllead dibromide

  摘要：

  Trimesityllead bromide has been synthesized by the reaction of mesityllithium with lead(II) chloride in tetrahydrofuran (THF). As a side product, dimesityllead dibromide was formed. The structures of both compounds were determined by single-crystal X-ray diffraction analysis. Both Mes PbBr and Mes,PbBr, were characterized by NMR (H-1, C-13 and Pb-207) and other spectroscopic methods. Pb-207-H-1 and Pb-207-C-13 coupling constants were determined. The experimentally obtained X-ray data were compared with those calculated at the semiempirical PM3 level. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00367-2

文献信息

• Sebald, Angelika; Harris, Robin K., Organometallics, 1990, vol. 9, # 7, p. 2096 - 2100
  作者：Sebald, Angelika、Harris, Robin K.

  DOI：——

  日期：——
• Crystal structures, semiempirical PM3 calculations and NMR studies of trimesityllead bromide and dimesityllead dibromide
  作者：Thomas M Klapötke、Jörg Knizek、Heinrich Nöth、Burkhard Krumm、Claudia M Rienäcker

  DOI：10.1016/s0277-5387(98)00367-2

  日期：1999.1

  Trimesityllead bromide has been synthesized by the reaction of mesityllithium with lead(II) chloride in tetrahydrofuran (THF). As a side product, dimesityllead dibromide was formed. The structures of both compounds were determined by single-crystal X-ray diffraction analysis. Both Mes PbBr and Mes,PbBr, were characterized by NMR (H-1, C-13 and Pb-207) and other spectroscopic methods. Pb-207-H-1 and Pb-207-C-13 coupling constants were determined. The experimentally obtained X-ray data were compared with those calculated at the semiempirical PM3 level. (C) 1999 Elsevier Science Ltd. All rights reserved.