[Mo(CO)3(tris(3,5-dimethyl-1-pyrazolyl)methane)] | 29996-61-0

• 英文名称: [Mo(CO)3(tris(3,5-dimethyl-1-pyrazolyl)methane)]
• 英文别名: tricarbonyl[tris(3,5-dimethylpyrazolyl)methane]molybdenum；(tris(3,5-dimethyl-1-pyrazolyl)methane)Mo(CO)3；[Mo(CO)₃(tris(3,5-dimethyl-1-pyrazolyl)methane)]；[Mo(CO)₃(HC(3,5-Me₂pz)₃)]
• CAS: 29996-61-0
• 化学式: C₁₉H₂₂MoN₆O₃
• 分子量: 478.362
• InChiKey: PZGMDPHABIIAOG-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：

  [Mo(CO)3(tris(3,5-dimethyl-1-pyrazolyl)methane)] 在 叔丁基过氧化氢 作用下， 以 癸烷 、 1,2-二氯乙烷 为溶剂， 反应 24.0h， 以73%的产率得到[{MoO₂(tris(3,5-dimethyl-1-pyrazolyl)methane)}₂( 2-O)][(μ₂-oxo)bis[dioxomolybdenum(VI)] hexamolybdate]
  参考文献：
  名称：

  三（吡唑基）甲烷三羰基钼配合物作为烯烃环氧化的催化剂前体

  摘要：

  三羰基钼络合物[Mo（CO）3（HC（3,5-Me 2 pz）3）]（1）和[Mo（CO）3（HC（pz）3）]（2）（HC（3， 通过微波辅助Mo（）的高收率获得了5-Me 2 pz）3  =三（3,5-二甲基-1-吡唑基）甲烷，HC（pz）3 =三（1-吡唑基）甲烷CO）6与各自的有机配体。通过与过量的叔丁基氢过氧化物（TBHP）在1,2-二氯乙烷中于55°C反应，实现1和2的完全氧化脱羰。对于复杂1中，（μ 2 -氧）双[二氧合钼（VI）]的组合物hexamolybdate [{的MoO 2（HC（3,5--ME 2 PZ）3）} 2（μ 2 -O）] [沫6 Ò 19 ] （3）以良好的产率获得，并且其结构通过单晶X射线衍射确定。并未明确鉴定通过2的氧化脱羰获得的化合物（4），但在化学上可能与3相似。化合物1 - 4首次在55°C下使用不同类型的助溶剂对TBHP进行烯烃环氧化的均相

  DOI：

  10.1016/j.molcata.2012.12.010
• 作为产物：
  描述：

  三(3,5-二甲基-1-吡唑基)甲烷 、 molybdenum hexacarbonyl 以 甲苯 为溶剂， 反应 3.0h， 以69%的产率得到[Mo(CO)3(tris(3,5-dimethyl-1-pyrazolyl)methane)]
  参考文献：
  名称：

  三（吡唑基）甲烷三羰基钼配合物作为烯烃环氧化的催化剂前体

  摘要：

  三羰基钼络合物[Mo（CO）3（HC（3,5-Me 2 pz）3）]（1）和[Mo（CO）3（HC（pz）3）]（2）（HC（3， 通过微波辅助Mo（）的高收率获得了5-Me 2 pz）3  =三（3,5-二甲基-1-吡唑基）甲烷，HC（pz）3 =三（1-吡唑基）甲烷CO）6与各自的有机配体。通过与过量的叔丁基氢过氧化物（TBHP）在1,2-二氯乙烷中于55°C反应，实现1和2的完全氧化脱羰。对于复杂1中，（μ 2 -氧）双[二氧合钼（VI）]的组合物hexamolybdate [{的MoO 2（HC（3,5--ME 2 PZ）3）} 2（μ 2 -O）] [沫6 Ò 19 ] （3）以良好的产率获得，并且其结构通过单晶X射线衍射确定。并未明确鉴定通过2的氧化脱羰获得的化合物（4），但在化学上可能与3相似。化合物1 - 4首次在55°C下使用不同类型的助溶剂对TBHP进行烯烃环氧化的均相

  DOI：

  10.1016/j.molcata.2012.12.010

文献信息

• Formation of η²-aroyl, η¹-halogenocarbyne or sterically crowded aryldiazenide ligands in the reactions of ring-substituted tricarbonyl[hydrotris(pyrazolyl)borato]-molybdate and -tungstate anions with arenediazonium cations and related oxidants
  作者：Fergus J. Lalor、Timothy J. Desmond、Gerard M. Cotter、Claire A. Shanahan、George Ferguson、Masood Parvez、Barbara Ruhl

  DOI：10.1039/dt9950001709

  日期：——

  with 3- or 4-substituted arenediazonium cations [R′N2]+ yielding carbonyl-substitution (i.e. aryldiazenido) products [MoHB(pz)3}(CO)2(N2R′)]. reaction of the methylsubstituted analogue [ML*(CO)3]–[L*= tris(3,5-dimethylpyrazolyl)hydroborate; M = Mo or W] led, via oxidative formation of aryl radicals and [ML*(CO)3]˙, to η2-aroyl complexes [ML*(CO)2(η2-COR′)][R′= C6H4X-4 (X = NO2, CN, COMe, CF3, H, Me

  尽管氢三（吡唑基）硼酸盐络合物[Mo HB（pz）3 }（CO）3 ] –与3-或4-取代的芳族重氮阳离子[R'N 2 ] +反应，生成羰基取代（即芳基二氮杂）产品[ Mo HB（pz）3 }（CO）2（N 2 R'）]。甲基取代的类似物[ML *（CO）3 ] – [L * =三（3,5-二甲基吡唑基）氢硼酸酯的反应；M = Mo或W]为首，通过芳基的氧化形成和[ML *（CO）3 ]˙，至η 2种芳酰基配合物[ML *（CO）2（η 2-COR'）] [R'= C 6 H 4 X-4（X = NO 2，CN，COMe，CF 3，H，Me，OMe或NMe 2）或C 6 H 4 X-3（X = NO 2或OMe）]在乙腈中，或在卤代烷烃CH 2 Cl 2或CHX 3（X = Br或X ）的存在下与卤代碳炔络合物[ML *（CO）2（CX）]（X = Cl，Br或I）。一世）。复杂的[MoL
• Mononuclear and Binuclear Molybdenum Complexes of the Tris(3,5-dimethyl-1-pyrazolyl)methane Ligand
  作者：Ish K. Dhawan、Michael A. Bruck、Brooke Schilling、Carina Grittini、John H. Enemark

  DOI：10.1021/ic00118a030

  日期：1995.7

  A series of mononuclear and binuclear molybdenum(0-VI) complexes of the facially coordinating tris(3,5-dimethyl-1-pyrazolyl)methane (L*) ligand have been prepared and structurally and spectroscopically characterized. The oxidation of L*Mo(CO)3 by various oxidants such as SOCl2, Br-2, I-2, and HNO3 affords a variety of mononuclear molybdenum(III and VI) complexes of the type L*MoX(3) (X = Cl, Br, I, and 0). The synthesis of [L*MoOCl2]Cl-+(-) achieved by refluxing a solution of L* and MoCl5 in THF. Oxo-molybdenum(V) complexes of the type [L*MoOX(2)](+) were rapidly generated in solution by the action of 1 equiv of the dianions of catechol, tetrachlorocatechol, and ethanedithiol on [L*MoOCl2]Cl-+(-) in the presence of base. Upon standing, these reaction mixtures produce unsymmetrical dimers having a [Mo2O4](2+) core. The structures of L*MoI3, L*Mo2O4Cl2, and L*Mo2O4(OC6H4O) were determined by X-ray crystallography: L*MoI3 crystallizes in the monoclinic space group P2(1)/n with a = 15.756(1) Angstrom, b = 9.971(1) Angstrom, c = 16.822(1) Angstrom, beta = 102.752(6)0, Z = 4, R = 0.024, and R(w) = 0.036. The molecule adopts the expected fac stereochemistry, and the average Mo-N and Mo-I distances are 2.200(3) and 2.7668(5) Angstrom, respectively. L*Mo2O4Cl2 crystallizes in the orthorhombic space group Pbca with a = 12.800(1) Angstrom, b = 18.530(1) Angstrom, c = 21.197(1) Angstrom, Z = 8, R = 0.034, and R(w) = 0.047. This binuclear complex contains both a six-coordinate molybdenum atom with an N3O3 coordination sphere and a five-coordinate molybdenum atom having O3Cl2 coordination. L*Mo2O4(OC6H4O) crystallizes in the orthorhombic space group P2(1)2(1)2(1) with a = 7.979(1) Angstrom, b = 16.166(1) Angstrom, c = 21.767(3) Angstrom, Z = 4, R = 0.031, and R(w) = 0.048. This dimer is similar to the above mentioned binuclear complex except that chlorine atoms are replaced by the catecholate moiety. The Mo-95 NMR spectra of the dimeric species show a single peak that is assigned to the five-coordinate center.