| 145311-82-6

• CAS: 145311-82-6
• 化学式: C₁₄H₁₀Mn₂O₉S
• 分子量: 464.17
• InChiKey: HXNHKGSFDPGWBN-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：

  在 (CH₃)3NO 作用下， 以 二氯甲烷 为溶剂， 以27%的产率得到Mn2(CO)8(μ-SCH2CMe2CH2)
  参考文献：
  名称：

  Coordination and reactivity of 3,3-dimethylthietane in dimanganese carbonyl cluster complexes

  摘要：

  The complex Mn2(CO)9(SCH2CMe2CH2) (1) was obtained from the reaction of Mn2(CO)9(NCMe) with 3,3-dimethylthietane (3,3-DMT) at 40-degrees-C. Reaction of 1 with Me3NO resulted in decarbonylation and the formation of the complex Mn2(CO)8[mu-SCH2CMe2CH2] (2). Complex 2 was characterized by single-crystal X-ray diffraction analyses and was found to contain a 3,3-DMT ligand bridging the two mutually bonded manganese metal atoms by using both lone pairs of electrons on the sulfur atom, Mn-Mn = 2.8243 (9) angstrom. Complex 2 reacted with HCl at 25-degrees-C to yield the complex [Mn(CO)3(SCH2CMe2CH2)(mu-Cl)]2 (3) in 84% yield and HMn(CO)5. The structure of complex 3 was determined by single-crystal X-ray diffraction analyses. In the solid state the molecule contains two manganese atoms bridged by two chlorine atoms, Mn...Mn = 3.578 (1) angstrom. There are two 3,3-DMT ligands terminally coordinated in axial sites one on each metal atom with an overall trans geometry. IR and H-1 NMR spectra of 3 indicate that it exists in solution as a mixture of isomers. For 1: space group = Pbca, a = 12.018 (2) angstrom, b = 17.135 (2) angstrom, c = 16.669 (2) angstrom, Z = 8, 1432 reflections, R = 0.026. For 2: space group = P2(1)/c, a = 10.984 (2) angstrom, b = 9.052 (2) angstrom, c = 11.884 (2) angstrom, beta = 90.94 (1)-degrees, Z = 2, 1298 reflections, R = 0.023.

  DOI：

  10.1021/om00060a029
• 作为产物：
  描述：

  3,3-Dimethyl-thietan 、 (acetonitrile)nona(carbonyl)dimanganese 以 二氯甲烷 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Coordination and reactivity of 3,3-dimethylthietane in dimanganese carbonyl cluster complexes

  摘要：

  The complex Mn2(CO)9(SCH2CMe2CH2) (1) was obtained from the reaction of Mn2(CO)9(NCMe) with 3,3-dimethylthietane (3,3-DMT) at 40-degrees-C. Reaction of 1 with Me3NO resulted in decarbonylation and the formation of the complex Mn2(CO)8[mu-SCH2CMe2CH2] (2). Complex 2 was characterized by single-crystal X-ray diffraction analyses and was found to contain a 3,3-DMT ligand bridging the two mutually bonded manganese metal atoms by using both lone pairs of electrons on the sulfur atom, Mn-Mn = 2.8243 (9) angstrom. Complex 2 reacted with HCl at 25-degrees-C to yield the complex [Mn(CO)3(SCH2CMe2CH2)(mu-Cl)]2 (3) in 84% yield and HMn(CO)5. The structure of complex 3 was determined by single-crystal X-ray diffraction analyses. In the solid state the molecule contains two manganese atoms bridged by two chlorine atoms, Mn...Mn = 3.578 (1) angstrom. There are two 3,3-DMT ligands terminally coordinated in axial sites one on each metal atom with an overall trans geometry. IR and H-1 NMR spectra of 3 indicate that it exists in solution as a mixture of isomers. For 1: space group = Pbca, a = 12.018 (2) angstrom, b = 17.135 (2) angstrom, c = 16.669 (2) angstrom, Z = 8, 1432 reflections, R = 0.026. For 2: space group = P2(1)/c, a = 10.984 (2) angstrom, b = 9.052 (2) angstrom, c = 11.884 (2) angstrom, beta = 90.94 (1)-degrees, Z = 2, 1298 reflections, R = 0.023.

  DOI：

  10.1021/om00060a029