Mo(N-2,6-C6H3-i-Pr2)2(O-t-Bu)2 | 142212-31-5

• 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: Mo(N-2,6-C6H3-i-Pr2)2(O-t-Bu)2
• 英文别名: [Mo(NAr)2(O(t)Bu)2]；Mo(N-2,6-Pr(i)2C6H3)2(O-t-Bu)2；[Mo(N(2,6-(i)Pr2C6H3))2(tert-butoxide)2]；Mo(N-2,6-Pri2C6H3)2(OBut)2；bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum(2+);2-methylpropan-2-olate
• CAS: 142212-31-5
• 化学式: C₃₂H₅₂MoN₂O₂
• 分子量: 592.717
• InChiKey: KNHNFEOXUOXDAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.12
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.18
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Mo(N-2,6-C6H3-i-Pr2)2(O-t-Bu)2 在 H(Et₂O)2B(3,5-(CF₃)2C₆H₃)4 作用下， 以 二氯甲烷-D2 为溶剂， 生成 [Mo4(N-2,6-i-Pr2C6H3)6(O-t-Bu)2(μ-O)4(μ3-OH)2]
  参考文献：
  名称：

  The effect of Brønsted acids on the stability of oxo-alkoxide and imido-alkoxide complexes of molybdenum

  摘要：

  研究发现，质子酸可分别催化氧化烷氧基和亚胺烷氧基络合物 Mo(O)2(O-t-Bu)2 和 Mo(N-2,6-i-Pr2C6H3)2(O-t-Bu)2 的分解；并描述了四核钼分解产物[Mo4(N-2,6-i-Pr2C6H3)6(O-t-Bu)2(μ-O)4(μ3-OH)2]的分子结构。

  DOI：

  10.1039/b202281h
• 作为产物：
  描述：

  Mo(N-2,6-C6H3-i-Pr2)3(trimethylphosphine) 、 叔丁醇 以 正戊烷 为溶剂， 以71%的产率得到Mo(N-2,6-C6H3-i-Pr2)2(O-t-Bu)2
  参考文献：
  名称：

  Morrison, Donald L.; Wigley, David E., Inorganic Chemistry, 1995, vol. 34, # 10, p. 2610 - 2616

  摘要：

  DOI：

文献信息

• The role of Brønsted acid catalysis in inter-metal ligand exchange reactions
  作者：Ian J. Blackmore、Vernon C. Gibson、Andrew J. Graham、Matthew Jolly、Edward L. Marshall、Brian P. Ward

  DOI：10.1039/b107460a

  日期：——

  A Brønsted acid is shown to catalyse the inter-metal exchange of mono-anionic (alkoxide and amide) and dianionic (imido) ligands in four-coordinate molybdenum complexes of the type Mo(NR)2(X)2 (R = alkyl, aryl; X = alkoxide, amide).

  研究表明，Mo(NR)2(X)2（R=烷基、芳基；X=烷氧基、酰胺）类型的四配位钼络合物中，一种布氏酸可催化单阴离子（烷氧基和酰胺）和二阴离子（亚氨基）配体的金属间交换。
• Novel metal imido calixarene complexes
  作者：Vernon C. Gibson、Carl Redshaw、William Clegg、Mark R. J. Elsegood

  DOI：10.1039/c39950002371

  日期：——

  Treatment of [Mo(NR)2(OBut)2](R = C6H3Pri2-2,6) with calix-4-arene (H4L1) and calix-8-arene (H8L2) affords novel mono- and di-metallocalixarene complexes; the crystal structures of [Mo(NR) L1(NCMe)]1 and [Mo(NR)(NCMe)}2L2]2, both incorporating additional acetonitrile solvent of crystallisation, are reported.

  将[Mo(NR)2(OBut)2](R = C6H3Pri2-2,6)与萼片-4-烯（H4L1）和萼片-8-烯（H8L2）进行处理，可得到新型单金属和双金属萼片烯配合物；报告了[Mo(NR) L1(NCMe)]1和[Mo(NR)(NCMe)}2L2]2的晶体结构，二者的结晶溶剂均为乙腈。
• Pairwise ligand exchange reactions in tetrahedral and pseudo-tetrahedral transition metal complexesElectronic supplementary information (ESI) available: Experimental procedures for synthesis of new compounds and for NMR-scale ligand exchange reactions as well as 1H NMR spectroscopic data characterising products of these reactions. See http://www.rsc.org/suppdata/dt/b3/b308062e/
  作者：Vernon C. Gibson、Andrew J. Graham、Matthew Jolly、Jonathan P. Mitchell

  DOI：10.1039/b308062e

  日期：——

  Ligand exchange reactions between various transition-metal complexes of the form [Mo(Q)2X2], [M(Q)CpX2] and [Mo(Q)2CpX], where Q and X are di-anionic and mono-anionic ligands, respectively, and M is Nb or Ta, have been studied. The formal electron count at the metal, and also the steric and electronic properties of the supporting ligands, are found to influence exchange rates, while ligand steric and electronic properties affect equilibrium constants.

  研究了[Mo(Q)2X2]、[M(Q)CpX2]和[Mo(Q)2CpX]形式的各种过渡金属配合物之间的配体交换反应，其中 Q 和 X 分别为二阴离子和单阴离子配体，M 为 Nb 或 Ta。研究发现，金属的形式电子数以及支持配体的立体和电子特性会影响交换率，而配体的立体和电子特性则会影响平衡常数。
• Bent versus linear imido ligands in five-co-ordinate molybdenum complexes
  作者：Vernon C. Gibson、Edward L. Marshall、Carl Redshaw、William Clegg、Mark R. J. Elsegood

  DOI：10.1039/dt9960004197

  日期：——

  A comparison of the molecular structures of the five-co-ordinate bis(imido) and imido alkylidene molybdenum complexes [Mo(NC6H3Pri2-2,6)(L)(L′)], where L is a tridentate pyridinediolato ligand and L′ is either NC6H3Pri2-2,6 or CHCMe2Ph, strongly supports the notion that the nitrogen of the bent imido ligand in the bis(imido) complex is sp2-hybridised.

  五配位双（亚氨基）和亚氨基亚烷基钼配合物[Mo（NC 6 H 3 Pr i 2 -2,6）（L）（L'）]的分子结构比较，其中L为a三齿吡啶二醇基配体，L'为NC 6 H 3 Pr i 2 -2,6或CHCMe 2 Ph，强烈支持双（酰亚胺基）络合物中弯曲的酰亚胺基配体的氮被sp 2-杂化。
• Ring-Opening Metathesis of a Cyclic Imine
  作者：Gidget K. Cantrell、Steven J. Geib、Tara Y. Meyer

  DOI：10.1021/om000360v

  日期：2000.9.1

  Pyrroline, a five-membered cyclic imine, undergoes ring-opening metathesis with alkylidene complexes of the class Mo(=CHR')(=NAr)(OR)(2) (Ar = 2,6 diisopropylphenyl; R = CMe3, CMe2-(CF3), CMe(CF3)(2); R' = CMe3, CPhMe2). An intermediate pyrroline-bound complex was isolated and characterized crystallographically for the R = CMe2(CF3) derivative. This adduct, Mo(=CHBut)(=NAr)[OCMe2(CF3)](2)[pyrroline], transforms to the mixed bis(imide) product, Mo(=NCH2CH2CH2CH=CHBut)(=NAr)[OMe2(CF3)](2), with a first-order rate constant of 1.4 x 10(-2) min(-1) at 55 degrees C. The reaction of the R = CMe3 derivative produces not only the ring-opened product but also a byproduct, Mo[CH(CMe2Ph)(C4H8N)](=O)(=NAr)(OBut).