propylthiotetramethylcyclopentadienylsodium | 192656-64-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: propylthiotetramethylcyclopentadienylsodium
• 英文别名: Sodium 1,2,3,4-tetramethyl-5-(propylsulfanyl)cyclopenta-2,4-dien-1-ide；sodium;1,2,3,5-tetramethyl-4-propylsulfanylcyclopenta-1,3-diene
• CAS: 192656-64-7
• 化学式: C₁₂H₁₉S*Na
• 分子量: 218.339
• InChiKey: MGSOGJHJCDYFLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.15
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  四氢呋喃氯化钛 、 propylthiotetramethylcyclopentadienylsodium 以 四氢呋喃 为溶剂， 以35%的产率得到dichlorodi(propylthiotetramethylcyclopentadienyl)titanium(IV)
  参考文献：
  名称：

  Propylthiotetramethylcyclopentadienyl complexes of iron, titanium and zirconium. Structural characterization of [η5-C5Me4SCH2CH2CH3]2TiCl2

  摘要：

  The use of the propylthio substituted tetramethylcyclopentadienylsodium salt leads to octamethyl-1,1'-di(propylthio)ferrocene and dichlorodi(propylthiotetramethylcyclopentadienyl)zirconium or titanium(IV). The structure of [eta(5)-C5Me4SCH2CH2CH3](2)TiCl2 has been established by X-ray analysis (orthorhombic, Pbca, a = 16.767(1), b = 16.247(3), c = 19.002(3) Angstrom, V = 5176.2(9) Angstrom(3), Z = 8, R-F = 0.052). The complexes have been characterized by H-1 and C-13 NMR and electrochemical studies.

  DOI：

  10.1016/s0022-328x(96)06909-4
• 作为产物：
  描述：

  sodium (tetramethylcyclopentadienide) 、 二丙基二硫 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 40.0h， 以45%的产率得到propylthiotetramethylcyclopentadienylsodium
  参考文献：
  名称：

  Propylthiotetramethylcyclopentadienyl complexes of iron, titanium and zirconium. Structural characterization of [η5-C5Me4SCH2CH2CH3]2TiCl2

  摘要：

  The use of the propylthio substituted tetramethylcyclopentadienylsodium salt leads to octamethyl-1,1'-di(propylthio)ferrocene and dichlorodi(propylthiotetramethylcyclopentadienyl)zirconium or titanium(IV). The structure of [eta(5)-C5Me4SCH2CH2CH3](2)TiCl2 has been established by X-ray analysis (orthorhombic, Pbca, a = 16.767(1), b = 16.247(3), c = 19.002(3) Angstrom, V = 5176.2(9) Angstrom(3), Z = 8, R-F = 0.052). The complexes have been characterized by H-1 and C-13 NMR and electrochemical studies.

  DOI：

  10.1016/s0022-328x(96)06909-4

文献信息

• Propylthiotetramethylcyclopentadienyl complexes of iron, titanium and zirconium. Structural characterization of [η5-C5Me4SCH2CH2CH3]2TiCl2
  作者：Roland Broussier、Cyrille Bourdon、Olivier Blacque、Alain Vallat、Marek M. Kubicki、Bernard Gautheron

  DOI：10.1016/s0022-328x(96)06909-4

  日期：1997.6

  The use of the propylthio substituted tetramethylcyclopentadienylsodium salt leads to octamethyl-1,1'-di(propylthio)ferrocene and dichlorodi(propylthiotetramethylcyclopentadienyl)zirconium or titanium(IV). The structure of [eta(5)-C5Me4SCH2CH2CH3](2)TiCl2 has been established by X-ray analysis (orthorhombic, Pbca, a = 16.767(1), b = 16.247(3), c = 19.002(3) Angstrom, V = 5176.2(9) Angstrom(3), Z = 8, R-F = 0.052). The complexes have been characterized by H-1 and C-13 NMR and electrochemical studies.