hydrido(methyldiphenylphosphine)tris(2,4,6-trimethylbenzenethiolato)molybdenum(IV) | 132584-50-0

• 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: hydrido(methyldiphenylphosphine)tris(2,4,6-trimethylbenzenethiolato)molybdenum(IV)
• CAS: 132584-50-0
• 化学式: C₄₀H₄₇MoPS₃
• 分子量: 750.925
• InChiKey: REITVWZCEFZEHG-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  11.98
• 重原子数：
  45.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  hydrido(methyldiphenylphosphine)tris(2,4,6-trimethylbenzenethiolato)molybdenum(IV) 在 pyridine 作用下， 以 四氢呋喃 为溶剂， 生成 hydrido(methyldiphenylphosphine)(pyridine)tris(2,4,6-trimethylbenzenethiolato)molybdenum(IV)
  参考文献：
  名称：

  Hughes, David L.; Lazarowych, Natalie J.; Maguire, Michael J., Journal of the Chemical Society, Dalton Transactions, 1995, # 1, p. 5 - 16

  摘要：

  DOI：
• 作为产物：
  描述：

  trans-bis(dinitrogen)(PMePh2)4 molybdenum 、 2,4,6-Triisopropylthiophenol 以 四氢呋喃 为溶剂， 以25%的产率得到hydrido(methyldiphenylphosphine)tris(2,4,6-trimethylbenzenethiolato)molybdenum(IV)
  参考文献：
  名称：

  Hughes, David L.; Lazarowych, Natalie J.; Maguire, Michael J., Journal of the Chemical Society, Dalton Transactions, 1995, # 1, p. 5 - 16

  摘要：

  DOI：

文献信息

• Cleavage of an aryl carbon–sulphur bond in hydride–thiolate complexes of molybdenum(<scp>IV</scp>); X-ray crystal structure of [{Mo(SC₆H₂Prⁱ₃-2,4,6)(OMe)(PMePh₂)}₂(µ-S)₂]
  作者：Timothy E. Burrow、Adrian Hills、David L. Hughes、Janette D. Lane、Natalie J. Lazarowych、Michael J. Maguire、Robert H. Morris、Raymond L. Richards

  DOI：10.1039/c39900001757

  日期：——

  The complexes [MoH(SC6H2R3-2,4,6)3(PR′Ph2)]1(R = Me or Pri; R′= Me or Et) in THF–MeOH decompose via cleavage of an aryl carbon–sulphur bond to give C6H3R3-2,4,6 and complexes [Mo(SC6H2R3-2,4,6)(OMe)(PR′Ph2)}2(µ-S)2], 3, one of which (R = Pri, R′= Me) has been characterized by single crystal X-ray diffraction.

  复合物[MoH(SC6H2R3-2,4,6)3(PR'Ph2)]1（R = Me 或 Pri；R' = Me 或 Et）在THF–MeOH中通过断裂芳香碳–硫键分解，生成C6H3R3-2,4,6和复合物[Mo(SC6H2R3-2,4,6)(OMe)(PR'Ph2)}2(µ-S)2]，其中之一（R = Pri, R' = Me）已通过单晶X射线衍射进行表征。
• A capped trigonal pyramidal molybdenum hydrido complex and an unusually mild sulfur–carbon bond cleavage reaction
  作者：Robert H. Morris

  DOI：10.1039/c7cc06372e

  日期：——

  an unprecedented geometry with the molybdenum in the base of trigonal pyramid defined by three thiolate ligands with a phosphine ligand on the apex and a hydride capping a PS2 face. This complex reacts with methanol to produce a sulfido complex by a new reaction: the protonation of an ipso carbon of a thiolate ligand by coordinated methanol.

  DFT计算表明，报道的氢化钼配合物具有前所未有的几何形状，钼在三棱锥的底部由三个硫醇盐配体定义，顶点处有膦配体，氢化物覆盖了PS 2面。此用甲醇络合物反应以产生由新的反应复合物的硫代：一个的质子化本位通过协调甲醇硫醇盐配位体的碳。
• Insertion of alkynes into molybdenum–phosphine and –carbon bonds. Crystal structures of the alkyne–ylide complex [MoO(SC6H2Pri3-2,4,6)2{η2-CHC(tol)}{C(tol)CHPMePh2}] (tol = C6H4Me-4) and the phosphonium–alkylidene complex [MoO(SC6H2Pri3-2,4,6)3{C(Ph)CHC(Ph)CH2PMe2Ph}]
  作者：Shirley A. Fairhurst、David L. Hughes、Katayoun Marjani、Raymond L. Richards

  DOI：10.1039/a801729h

  日期：——

  Treatment of [MoH(SC6H2R3-2,4,6)3(PMePh2)] 1a (R = Me or Pri) with HCCR′ (R′Ph or C6H4Me-4) in tetrahydrofuran (thf)–MeOH gave the diamagnetic ylide complexes [MoO(SC6H2R3-2,4,6)2η2-CHC(R′)}C(R′)CHPMePh2}] 2, the source of the oxide ligand most probably being adventitious water. The crystal structure of one example, 2a (R′ = C6H4Me-4, R = Pri), confirms their structure [Mo–O 1.69(2), Mo–Cylide 2.12(3), Mo–Calkyne 2.07(3) and 2.21(3) Mo–S 2.410(9) and 2.475(9), Ph2MeP–C 1.77(3)Å]. Treatment of [MoH(SC6H2Pri3-2,4,6)3(PMe2Ph)2] 1b with HCCPh under similar conditions gave the phosphonium–alkylidene complex [MoO(SC6H2Pri3-2,4,6)3C(Ph)CHC(Ph)CH2PMe2Ph}] 3, whose crystal structure has been determined [Mo–O 1.691(3), Mo–C 1.990(5), Mo–S 2.424(1), 2.434(1) and 2.432(1), PhMe2P–C 1.808(6) Å]. Spectroscopic data for these complexes are discussed. Neither PhCCPh nor PhCCMe reacted with 1b.

  将[MoH(SC6H2R3-2,4,6)3(PMePh2)] 1a（R = Me 或 Pri）与 HCCRâ²（Râ²Ph 或 C6H4Me-4）在四氢呋喃（thf）âMeOH 中进行处理，可得到二磁性矢量配合物 [MoO(SC6H2R3-2. 4,6)2δ-2-CHC(Râ²)}C(Râ²)CHPMePh2}] 2、4,6)2δ-2-CHC(Râ²)}C(Râ²)CHPMePh2}] 2，氧化物配体的来源很可能是外来水。一个实例 2a 的晶体结构（Râ²Â = C6H4Me-4，R = Pri）证实了它们的结构[MoâO 1.69(2)，MoâCylide 2.12(3)，MoâCalkyne 2.07(3)和 2.21(3)，MoâS 2.410(9)和 2.475(9)，Ph2MePâC 1.77(3)à ]。在类似条件下，用 HCCPh 处理 [MoH(SC6H2Pri3-2,4,6)3(PMe2Ph)2] 1b 得到亚磷烷基配合物 [MoO(SC6H2Pri3-2,4,6)3C(Ph)CHC(Ph)CH2PMe2Ph}] 3，其晶体结构已经确定 [MoâO 1.691(3), MoâC 1.990(5), MoâS 2.424(1), 2.434(1) and 2.432(1), PhMe2PâC 1.808(6) à ]。本文讨论了这些配合物的光谱数据。PhCCPh 和 PhCCMe 均未与 1b 发生反应。