Mo(N(2,4,6-trimethylphenyl))(methyl xanthate)Cl(PMe3)2 | 248243-73-4

• 英文名称: Mo(N(2,4,6-trimethylphenyl))(methyl xanthate)Cl(PMe3)2
• CAS: 248243-73-4；249602-98-0；249602-99-1
• 化学式: C₁₇H₃₂ClMoNOP₂S₂
• 分子量: 523.92
• InChiKey: JHWDSKLDADMZTB-UHFFFAOYSA-L

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：

  Mo(N(2,4,6-trimethylphenyl))(methyl xanthate)Cl(PMe3)2 、 一氧化碳 以 乙醚 为溶剂， 生成 Mo(N(2,4,6-trimethylphenyl))(methyl xanthate)Cl(CO)(PMe3)
  参考文献：
  名称：

  Synthesis and characterization of d2-molybdenum imido complexes containing coordinated dithio-ligands. MO rationalization of the preferential isomer formation of Mo(N-2,4,6-Me3C6H2)(S2COMe)Cl(PMe3)2

  摘要：

  Treatment of the complex Mo(Nmes)Cl-2(PMe3)(3) (1) (mes = 2,4,6-Me3C6H2, 2,4,6-trimethylphenyl) with two equivalents of the potassium salt of methyl xanthate, KS2COMe, or the potassium 1-pyrrole-carbodithioate, KS2C(NC4H4), gave Mo(Nmes)(SS)(2)(PMe3) (S-S = S2COMe 2; S2C(NC4H4) 3). When the reaction of 1 with KS2COMe is carried out in a 1:1 stoichiometry, the complex Mo(Nmes)(S2COMe)Cl(PMe3)(2) (4) is obtained. The chlorine atom in 4 occupies the trans position with respect to the organoimido ligand. MO calculations of the EH type rationalize the preferential formation of 4 as the thermodynamically preferred isomer in this metathesis reaction. The reaction of 4 with CO produces Mo(Nmes)(S2COMe)Cl(CO)PMe3) (5). Reaction of 1 with carbon disulfide yields the complex Mo(Nmes)Cl-2(S2CPMe3) (6), containing a trihapto-(S,S',C) phosphoniumdithiocarboxylate ligand. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00314-9
• 作为产物：
  描述：

  Mo(N(2,4,6-trimethylphenyl))Cl2(PMe3)3 、 甲氧基二硫代甲酸钾 以 四氢呋喃 为溶剂， 以55%的产率得到Mo(N(2,4,6-trimethylphenyl))(methyl xanthate)Cl(PMe3)2
  参考文献：
  名称：

  Synthesis and characterization of d2-molybdenum imido complexes containing coordinated dithio-ligands. MO rationalization of the preferential isomer formation of Mo(N-2,4,6-Me3C6H2)(S2COMe)Cl(PMe3)2

  摘要：

  Treatment of the complex Mo(Nmes)Cl-2(PMe3)(3) (1) (mes = 2,4,6-Me3C6H2, 2,4,6-trimethylphenyl) with two equivalents of the potassium salt of methyl xanthate, KS2COMe, or the potassium 1-pyrrole-carbodithioate, KS2C(NC4H4), gave Mo(Nmes)(SS)(2)(PMe3) (S-S = S2COMe 2; S2C(NC4H4) 3). When the reaction of 1 with KS2COMe is carried out in a 1:1 stoichiometry, the complex Mo(Nmes)(S2COMe)Cl(PMe3)(2) (4) is obtained. The chlorine atom in 4 occupies the trans position with respect to the organoimido ligand. MO calculations of the EH type rationalize the preferential formation of 4 as the thermodynamically preferred isomer in this metathesis reaction. The reaction of 4 with CO produces Mo(Nmes)(S2COMe)Cl(CO)PMe3) (5). Reaction of 1 with carbon disulfide yields the complex Mo(Nmes)Cl-2(S2CPMe3) (6), containing a trihapto-(S,S',C) phosphoniumdithiocarboxylate ligand. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00314-9