[2-((dimethylamino)methyl)phenyl]diiodobismuthane

• 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: [2-((dimethylamino)methyl)phenyl]diiodobismuthane
• 英文别名: Bi(2-[(dimethylamino)methyl]phenyl)I2；1-(2-diiodobismuthanylphenyl)-N,N-dimethylmethanamine
• 化学式: C₉H₁₂BiI₂N
• 分子量: 596.99
• InChiKey: KPHAIZNKWSJMEY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.82
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  迭氮银 、 [2-((dimethylamino)methyl)phenyl]diiodobismuthane 以 四氢呋喃 为溶剂， 以98%的产率得到[2-((dimethylamino)methyl)phenyl]diazidobismuthane
  参考文献：
  名称：

  Mono- and Diazides of Bismuth

  摘要：

  Bis[2-((dimethylamino)methyl)phenyl]azidobismuthane, [2-(Me2NCH2)C6H4](2)BiN3, and [2-((dimethylamino)methyl)phenyl]diazidobismuthane, [2-(Me2NCH2)C6H4]Bi(N-3)(2), were synthesized and fully characterized. [2-(Me2NCH2)C6H4](2)BiN3 and [2-(Me2NCH2)C6H4]Bi(N-3)(2) represent rare examples of bismuth azides. The structures of both azide compounds were determined by single-crystal X-ray diffraction. While for the monoazide [2-(Me2NCH2)C6H4](2)BiN3 a monomeric species was found, the diazide [2-(Me2NCH2)C6H4]Bi(N-3)(2) dimerizes in the solid state, exhibiting two bridging azido groups. Furthermore, weak van der Waals interactions between these centrosymmetric dimers lead to a chainlike structure in the crystal.

  DOI：

  10.1021/om1009796
• 作为产物：
  描述：

  Bi(2-[(dimethylamino)methyl]phenyl)3 以 乙醚 、 甲苯 为溶剂， 生成 [2-((dimethylamino)methyl)phenyl]diiodobismuthane
  参考文献：
  名称：

  Carmalt, Claire J.; Cowley, Alan H.; Culp, Robert D., Inorganic Chemistry, 1997, vol. 36, # 13, p. 2770 - 2776

  摘要：

  DOI：

文献信息

• Carmalt, Claire J.; Cowley, Alan H.; Culp, Robert D., Inorganic Chemistry, 1997, vol. 36, # 13, p. 2770 - 2776
  作者：Carmalt, Claire J.、Cowley, Alan H.、Culp, Robert D.、Jones, Richard A.、Kamepalli, Smuruthi、Norman, Nicholas C.

  DOI：——

  日期：——
• Mono- and Diazides of Bismuth
  作者：Axel Schulz、Alexander Villinger

  DOI：10.1021/om1009796

  日期：2011.1.24

  Bis[2-((dimethylamino)methyl)phenyl]azidobismuthane, [2-(Me2NCH2)C6H4](2)BiN3, and [2-((dimethylamino)methyl)phenyl]diazidobismuthane, [2-(Me2NCH2)C6H4]Bi(N-3)(2), were synthesized and fully characterized. [2-(Me2NCH2)C6H4](2)BiN3 and [2-(Me2NCH2)C6H4]Bi(N-3)(2) represent rare examples of bismuth azides. The structures of both azide compounds were determined by single-crystal X-ray diffraction. While for the monoazide [2-(Me2NCH2)C6H4](2)BiN3 a monomeric species was found, the diazide [2-(Me2NCH2)C6H4]Bi(N-3)(2) dimerizes in the solid state, exhibiting two bridging azido groups. Furthermore, weak van der Waals interactions between these centrosymmetric dimers lead to a chainlike structure in the crystal.