| 179736-75-5

• CAS: 179736-75-5
• 化学式: C₂₇H₃₅CrNbO₅S₂
• 分子量: 648.606
• InChiKey: UFTPEFPMWFTYQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  以 甲苯 为溶剂， 以44%的产率得到
  参考文献：
  名称：

  Addition of Cr(CO)5 to the M(η2- S2) moiety of Cp2 M(S2H (Cp′ = tBuC5H4 : M = Ta; CpX = C5Me4Et: M = Nb) and crystal structures of Cp′2TaS2H · [Cr(CO)5]n (n = 1, 2)

  摘要：

  Reaction of Cp'2TaS2H (Cp' = (t)BuC(5)H(4)) or Cp(2)(x)NbS(2)H (Cp(x) = C(5)Me(4)Et) with an excess of Cr(CO)(5)THF gives the adducts Cp'2TaS2H . Cr(CO)(5) 1, Cp'2TaS2H . 2Cr(CO)(5) 2, and Cp(2)(x)NbS(2)H . Cr(CO)(5) 3 respectively. 1 and 2 are separated by fractional crystallisation. The crystal structures show the Cr(CO)(5) fragment in 1 to be coordinated to the 'outer' sulfur, and in 2 both Cr(CO)(5) fragments are coordinated to each sulfur of the S-2 ligand in a trans fashion. In all cases approximate sp(3) hybridisation of the S atoms is observed. The new compounds are thermally labile and give CO-free, trinuclear compounds of the type Gp(4)M(2)S(4)Cr upon heating their solutions.

  DOI：

  10.1016/0022-328x(95)06001-d
• 作为产物：
  描述：

  (η5-C5Me4Et)2Nb(η2-S2)(H) 、 六羰基铬 在 THF 作用下， 以 四氢呋喃 为溶剂， 以27%的产率得到
  参考文献：
  名称：

  Addition of Cr(CO)5 to the M(η2- S2) moiety of Cp2 M(S2H (Cp′ = tBuC5H4 : M = Ta; CpX = C5Me4Et: M = Nb) and crystal structures of Cp′2TaS2H · [Cr(CO)5]n (n = 1, 2)

  摘要：

  Reaction of Cp'2TaS2H (Cp' = (t)BuC(5)H(4)) or Cp(2)(x)NbS(2)H (Cp(x) = C(5)Me(4)Et) with an excess of Cr(CO)(5)THF gives the adducts Cp'2TaS2H . Cr(CO)(5) 1, Cp'2TaS2H . 2Cr(CO)(5) 2, and Cp(2)(x)NbS(2)H . Cr(CO)(5) 3 respectively. 1 and 2 are separated by fractional crystallisation. The crystal structures show the Cr(CO)(5) fragment in 1 to be coordinated to the 'outer' sulfur, and in 2 both Cr(CO)(5) fragments are coordinated to each sulfur of the S-2 ligand in a trans fashion. In all cases approximate sp(3) hybridisation of the S atoms is observed. The new compounds are thermally labile and give CO-free, trinuclear compounds of the type Gp(4)M(2)S(4)Cr upon heating their solutions.

  DOI：

  10.1016/0022-328x(95)06001-d