(tris(3,5-dimethyl-1-pyrazolyl)methane)MoO3 | 165285-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (tris(3,5-dimethyl-1-pyrazolyl)methane)MoO3
• 英文别名: MoO3(tris(3,5-dimethyl-1-ylpyrazolyl)；MoO3(HC(3,5-Me2pz)3)
• CAS: 165285-28-9
• 化学式: C₁₆H₂₂MoN₆O₃
• 分子量: 442.329
• InChiKey: MLDCVZARAYHLDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  MoO2Cl(tris(3,5-dimethyl-1-ylpyrazolyl)BF4 以 水 为溶剂， 以51%的产率得到(tris(3,5-dimethyl-1-pyrazolyl)methane)MoO3
  参考文献：
  名称：

  三（3,5-二甲基-1-吡唑基）甲烷钼（VI）配合物的合成及催化性能

  摘要：

  复杂的[MoO 2 Cl {HC（3,5-Me 2 pz）3 }] BF 4（1）（HC（3,5-Me 2 pz）3 = tris（3,5-二甲基-1-吡唑基）甲烷）已经制备出来，并作为叔丁基过氧化氢（TBHP）的氧化剂在55°C下作为烯烃环氧化的催化剂进行了研究。对于顺式-环辛烯的反应，当从反应混合物中严格排除水后，可以在5小时内定量获得环氧环辛烷。反应混合物中水的增加导致活性降低（而不会影响产物的选择性），并且将1转化为三氧化钼（VI）配合物[{HC（3,5-Me2 pz）3 } MoO 3 ]（4）。通过使1的悬浮液在水中回流，分离出作为微晶固体的复合物4。的粉末X射线衍射图案4可以在正交索引晶Pnma系统，具有一个= 16.7349（5），b = 13.6380（4），和c ^ = 7.8513（3）埃。的治疗1与导致对称的隔离过量TBHP二氯甲烷[沫2 ø 4（μ 2 -O）{HC（3

  DOI：

  10.1021/ic102456z

文献信息

• 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.