bis-2-(4,5-dimethylthiazolyl)mercury | 154093-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis-2-(4,5-dimethylthiazolyl)mercury
• CAS: 154093-76-2
• 化学式: C₁₀H₁₂HgN₂S₂
• 分子量: 424.941
• InChiKey: UMJJBQAQYPYXGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  十二羰基三铁 、 bis-2-(4,5-dimethylthiazolyl)mercury 、 叔丁基硫醇 在 triethylamine 作用下， 以 四氢呋喃 为溶剂， 以37%的产率得到(μ-σ,π-CNC(CH3)C(CH3)S)(μ-(CH3)3CS)Fe2(CO)6
  参考文献：
  名称：

  Reactions of [Et3NH][(μ-CO)(μ-RS)Fe2(CO)6] complexes with thiazolyl-, oxazolyl- and imidazoyl-mercurials: a route to Fe2(CO)6 complexes containing an η1, η2-CN bridge

  摘要：

  The reaction of complexes of type [Et3NH][(mu-CO)(mu-RS)Fe2(CO)6] with thiazolyl-, oxazolyl- and N-methylimidazolylmercurials gave products of type in moderate yield, as well as (mu-RS)2Fe2(CO)6 and elemental mercury. The crystal structure of 13b[GRAPHICS](Z = S, R = Et, R1 = H) is described: space group P1BAR (No. 2), a = 9.3478(6) angstrom, b = 1.4594(6) angstrom, c = 8.1005(4) angstrom, alpha = 97.511(5)-degrees, beta = 108.221(5), gamma = 71.516(5)-degrees, Z = 2, R = 0.060, R(W) = 0.064 for 2552 observed reflections.

  DOI：

  10.1016/0022-328x(93)86080-2
• 作为产物：
  描述：

  4,5-二甲基噻唑 、 mercury dichloride 在 n-butyllithium 作用下， 以 乙醚 、 正己烷 为溶剂， 以49%的产率得到bis-2-(4,5-dimethylthiazolyl)mercury
  参考文献：
  名称：

  Reactions of [Et3NH][(μ-CO)(μ-RS)Fe2(CO)6] complexes with thiazolyl-, oxazolyl- and imidazoyl-mercurials: a route to Fe2(CO)6 complexes containing an η1, η2-CN bridge

  摘要：

  The reaction of complexes of type [Et3NH][(mu-CO)(mu-RS)Fe2(CO)6] with thiazolyl-, oxazolyl- and N-methylimidazolylmercurials gave products of type in moderate yield, as well as (mu-RS)2Fe2(CO)6 and elemental mercury. The crystal structure of 13b[GRAPHICS](Z = S, R = Et, R1 = H) is described: space group P1BAR (No. 2), a = 9.3478(6) angstrom, b = 1.4594(6) angstrom, c = 8.1005(4) angstrom, alpha = 97.511(5)-degrees, beta = 108.221(5), gamma = 71.516(5)-degrees, Z = 2, R = 0.060, R(W) = 0.064 for 2552 observed reflections.

  DOI：

  10.1016/0022-328x(93)86080-2