| 167286-92-2

• CAS: 167286-92-2
• 化学式: C₂₃H₅₅MoNP₄S
• 分子量: 597.597
• InChiKey: WTRHIJZGAUYXRB-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  Mo(((C₂H₅)2PCH₂)2)2(H)(SCN(CH₃)2) 以 甲苯 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  Novel Synthetic Route to Molybdenum Hydrido-Thiocarbamoyl and Hydrosulfido-Carbyne Complexes by Reactions of trans-Mo(N2)2(R2PC2H4PR2)2 with N,N-Dimethylthioformamide

  摘要：

  The reactions of bis(dinitrogen)molybdenum complexes trans-Mo(N-2)(2)(R(2)PC(2)H(4)PR(2))(2) (R = Ph, Et) with N,N-dimethylthioformamide (HC(S)NMe(2)) in refluxing benzene under argon give the molybdenum hydrido-thiocarbamoyl complexes MoH(eta(2)-C(S)NMe(2))(R(2)PC(2)H(4)PR(2))2 (R = Ph (1a), Et(1b)). On heating at 125 degrees C in toluene solutions, compounds la and Ib rearrange to form the molybdenum hydrosulfido-aminocarbyne complexes trans-Mo(SH)-(=CNMe(2))(R(2)PC(2)H(4)PR(2))(2) (R = Ph (2a), Et (2b)). A mechanism is proposed for this thermal rearrangement which involves migration of the hydride ligand from molybdenum to the sulfur atom of the thiocarbamoyl Ligand to give the 16-electron Fischer carbene intermediate Mo-(=C(SH)NMe(2))(R(2)PC(2)H(4)PR(2))2, followed by migration of the hydrosulfido group from the carbene carbon to molybdenum. The molecular structures of compounds la and 2a have been determined by single-crystal X-ray diffraction studies. Crystallographic data for la: monoclinic, space group C2/c, a 19.536(4) Angstrom, b = 15.950(3) Angstrom, c =15.793(3) Angstrom, beta = 105.54(3)degrees, V = 4741(2) Angstrom(3), Z = 4, and R = 0.037. Crystallographic data for 2a: monoclinic, space group P2(1)/c, a = 19.516(4) Angstrom, b = 12.301(2) Angstrom, c = 19.899(4) Angstrom, beta = 102.46(3)degrees, V = 4665 (2)Angstrom(3), Z = 4, and R = 0.062.

  DOI：

  10.1021/om00007a043