trans-[(bis(diphenylphosphino)ethane)2RuH(dithioformate)] | 500700-22-1

• 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: trans-[(bis(diphenylphosphino)ethane)2RuH(dithioformate)]
• 英文别名: trans-[(Ph2PCH2CH2PPh2)2Ru(H)(SC(S)H)]；trans-[(dppe)2Ru(H)(SC(S)H)]；2-diphenylphosphanylethyl(diphenyl)phosphane;methanedithioate;ruthenium(1+) monohydride
• CAS: 500700-22-1
• 化学式: C₅₃H₅₀P₄RuS₂
• 分子量: 976.077
• InChiKey: RTABBFXVDMVYAM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.72
• 重原子数：
  60.0
• 可旋转键数：
  10.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  trans-[(bis(diphenylphosphino)ethane)2RuH(dithioformate)] 以 甲苯 为溶剂， 生成 [(dppe)2Ru(η2-S2CH2)]
  参考文献：
  名称：

  Novel Double Insertion of Carbon Disulfide into Two Ru−H Bonds of [(dppm)₂Ru(H)₂] (dppm = Ph₂PCH₂PPh₂):  Synthesis and Crystal Structure of a Methanedithiolate Complex

  摘要：

  Addition of excess carbon disulfide to cis/trans-[(dPPM)(2)Ru(H)(2)] results in the methanedithiolate complex [(dppm)(2)Ru(eta(2)-S2CH2)] 4 via the intermediacy of cis-[(dppm)(2)Ru(H)(SC(S)H)] 2. The X-ray crystal structure of this species has been determined.

  DOI：

  10.1021/ic0260320
• 作为产物：
  描述：

  二硫化碳 、 cis-H2Ru(Ph2PCH2CH2PPh2)2 以 甲苯 为溶剂， 以99%的产率得到trans-[(bis(diphenylphosphino)ethane)2RuH(dithioformate)]
  参考文献：
  名称：

  Novel Double Insertion of Carbon Disulfide into Two Ru−H Bonds of [(dppm)₂Ru(H)₂] (dppm = Ph₂PCH₂PPh₂):  Synthesis and Crystal Structure of a Methanedithiolate Complex

  摘要：

  Addition of excess carbon disulfide to cis/trans-[(dPPM)(2)Ru(H)(2)] results in the methanedithiolate complex [(dppm)(2)Ru(eta(2)-S2CH2)] 4 via the intermediacy of cis-[(dppm)(2)Ru(H)(SC(S)H)] 2. The X-ray crystal structure of this species has been determined.

  DOI：

  10.1021/ic0260320

文献信息

• Utilization of CS₂ as a Source of C₁ Synthetic Units for the Preparation of Bis(alkylthio)methanes and Alkyl Dithioformates
  作者：Thirumanavelan Gandhi、Balaji R. Jagirdar

  DOI：10.1021/ic048849u

  日期：2005.2.1

  Ph2PCH2PPh2) affords the methanedithiolate complex [(dppm)2Ru(eta2-S2CH2)]. The methanedithiolate moiety has been functionalized using 2 equiv of RX resulting in bis(alkylthio)methane derivatives [(dppm)2Ru(RSCH2SR)][X]2. The bis(alkylthio)methane complex loses the bis(alkylthio)methane moiety under very mild conditions and in turn affords the [(dppm)2RuX2] complex from which the starting dihydride [(dppm)2Ru(H)2]

  将CS2双插入[[（dppm）2Ru（H）2]（dppm = Ph2PCH2PPh2）的两个Ru-H键中可得到甲烷二硫醇盐络合物[（dppm）2Ru（eta2-S2CH2）]。甲烷二硫醇盐部分已使用2当量的RX官能化，生成双（烷硫基）甲烷衍生物[（dppm）2Ru（RS SR）] [X] 2。双（烷硫基）甲烷络合物在非常温和的条件下会失去双（烷硫基）甲烷部分，进而提供了[（dppm）2RuX2]络合物，通过该络合物可以通过生成二氢[[dppm）2Ru（H）2]与KOH / EtOH反应。另一方面，将CS2插入[[（dppe）2Ru（H）2]（dppe = Ph2PCH2 PPh2）的一个Ru-H键中，然后使用RX进行官能化，生成烷基二硫代甲酸酯络合物反式[[（dppe）2Ru（H）] （SC（SR）H）] [X]。在这种情况下，在非常温和的条件下将二硫代甲酸烷基酯部分除去，得到[（dppe）2
• Gandhi, Thirumanavelan; Nethaji, Munirathinam; Jagirdar, Balaji R., Inorganic Chemistry, 2003, vol. 42, # 16, p. 4798 - 4800
  作者：Gandhi, Thirumanavelan、Nethaji, Munirathinam、Jagirdar, Balaji R.

  DOI：——

  日期：——