Mo(CO)3(1,3,5-trimethyl-1,3,5-triazacyclohexane) | 205106-36-1

• 英文名称: Mo(CO)3(1,3,5-trimethyl-1,3,5-triazacyclohexane)
• 英文别名: 1,3,5-cyclo-(MeNCH2)3Mo(CO)3；Mo(CO)3(η3-(MeNCH2)3)
• CAS: 205106-36-1
• 化学式: C₉H₁₅MoN₃O₃
• 分子量: 309.176
• InChiKey: SMFRVZRKGFLAPP-UHFFFAOYSA-N

物化性质

• 熔点：
  >200 °C (decomp)

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：

  乙腈 、 Mo(CO)3(1,3,5-trimethyl-1,3,5-triazacyclohexane) 以 乙腈 为溶剂， 以85%的产率得到fac-[Mo(CO)3(acetonitrile)3]
  参考文献：
  名称：

  1,3,5-Trimethyl-1,3,5-triazacyclohexane tricarbonyl complexes of Mo and W as sources of the fac-M(CO)3 fragment. Mild syntheses of fac-[M(CO)3(CH3CN)3] (M=Mo, W), [W(CO)3(PR3)3], [W(CO)(alkyne)3] and [W(CO)3(π-arene)] complexes

  摘要：

  The 1,3,5-trimethyl-1,3,5-triazacyclohexane (Me(3)tach) group in [M(CO)(3)(Me(3)tach)] complexes (M=Mo, W) is easily displaced by a variety of ligands under mild conditions. The lability of the Me(3)tach ligand allows the [M(CO)(3)(Me(3)tach)] complexes to be used as synthetic intermediates in convenient syntheses of products such as fac-[M(CO)(3)(CH3CN)(3)] (M=Mo,W), [W(CO)(alkyne)(3)], [W(CO)(3)(PR3)(2)] and [W(CO)(3)(eta(6)-arene)] complexes. An improved synthesis of [W(CO)(3)(Me(3)tach)] from [W(CO)(6)] and Me(3)tach is described. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00642-1
• 作为产物：
  描述：

  1,3,5-三甲基己羟基-1,3,5-三嗪 、 三羰基环庚三烯基钼 以 四氢呋喃 为溶剂， 以95%的产率得到Mo(CO)3(1,3,5-trimethyl-1,3,5-triazacyclohexane)
  参考文献：
  名称：

  Schumann, Hans, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 7, p. 1038 - 1044

  摘要：

  DOI：

文献信息

• Coordination Chemistry of N-Heterocyclic Nitrenium-Based Ligands
  作者：Yuri Tulchinsky、Sebastian Kozuch、Prasenjit Saha、Assaf Mauda、Gennady Nisnevich、Mark Botoshansky、Linda J. W. Shimon、Mark Gandelman

  DOI：10.1002/chem.201405526

  日期：2015.5.4

  Comprehensive studies on the coordination properties of tridentate nitrenium‐based ligands are presented. N‐heterocyclic nitrenium ions demonstrate general and versatile binding abilities to various transition metals, as exemplified by the synthesis and characterization of RhI, RhIII, Mo0, Ru0, RuII, PdII, PtII, PtIV, and AgI complexes based on these unusual ligands. Formation of nitrenium–metal bonds is unambiguously

  提出了对三齿基于氮的配体的配位性能的综合研究。N-杂环nitr离子显示出对各种过渡金属的通用结合作用，如Rh I，Rh III，Mo 0，Ru 0，Ru II，Pd II，Pt II，Pt IV和Ag的合成和表征我根据这些不同寻常的配体进行复合。选择性地通过溶液15明确证实了氮金属键的形成N标记实验，并通过X射线晶体学进行固态分析。通过系统的DFT研究，以相应的键解离能对N杂环对所有第二行过渡金属和过渡金属（Y-Cd）的亲和力进行了系统的DFT研究，验证了N杂环作为配体的普遍性。
• Group 6 metal complexes of 1,3,5-tri(4-pentynyl)-1,3,5-triazacyclohexane
  作者：Murray V. Baker、David H. Brown、Brian W. Skelton、Allan H. White

  DOI：10.1039/a908349i

  日期：——

  1,3,5-Tri(4-pentynyl)-1,3,5-triazacyclohexane (tptach), a 1,3,5-triazacyclohexane ligand with three pendant alkyne groups, was synthesized. The metal tricarbonyl adducts [Cr(CO)3(tptach)] and [Mo(CO)3(tptach)], featuring a tptach co-ordinated to the metal centre via only the three nitrogen atoms, were prepared by reaction of tptach with reactive sources of “M(CO)3”. The chromium trichloride adduct [CrCl3(tptach)] was synthesized in low yield via the reaction of tptach with [CrCl3(thf)3]. Structural studies of [CrCl3(tptach)] and another chromium trihalide–tach adduct, [CrBr3(tmtach)] (tmtach = 1,3,5-trimethyl-1,3,5-triazacyclohexane), were made.

  1,3,5-三(4-戊炔基)-1,3,5-三氮杂环己烷（ptach）是一种带有三个炔基的 1,3,5-三氮杂环己烷配体。金属三羰基加合物[Cr(CO)3(tptach)]和[Mo(CO)3(tptach)]是通过 tptach 与活性源 "M(CO)3 "反应制备的，其特点是 tptach 仅通过三个氮原子与金属中心配位。三氯化铬加合物[CrCl3(ptach)]是通过 tptach 与[CrCl3(thf)3]反应合成的，产量较低。对[CrCl3(tptach)]和另一种三卤化铬-tach 加合物[CrBr3(tmtach)]（tmtach = 1,3,5-三甲基-1,3,5-三氮杂环己烷）进行了结构研究。
• Synthesis of Mo(CO)2(η3-PPh2(o-C6H4)C(O)H)2 and its reaction with C60
  作者：Chi-Shian Chen、Cha-Shie Lin、Wen-Yann Yeh

  DOI：10.1016/j.jorganchem.2011.01.023

  日期：2011.4

  Reaction of Mo(CO)(3)(NCMe)(3) and PPh2(o-C6H4)C(=O)H (abbreviated as PCHO) at room temperature affords Mo(CO)(2)(eta(3)-PCHO)(2) (1), while compound 1 and the phosphine-imine complex Mo(CO)(4)(eta(2)-PPh2(o-C6H4)CH=NMe) (2) are obtained by using Mo(CO)(3)(eta(3)-(MeNCH2)(3)) as the reactant. Thermal reaction of 1 with C-60 products Mo(CO)(2)(eta(4)-(PPh2(o-C6H4)CH)(2))(eta(2)-C-60) (3) in low yield, apparently through coupling of the formyl moieties. The structures of 1 and 3 have been determined by an X-ray diffraction study. The two aldehyde groups of 1 and C-60 ligand of 3 are coordinated to the molybdenum atom in a pi-fashion. (C) 2011 Elsevier B.V. All rights reserved.
• Armanasco, Nicole L.; Baker, Murray V.; North, Michael R., Journal of the Chemical Society, Dalton Transactions, 1998, # 7, p. 1145 - 1149
  作者：Armanasco, Nicole L.、Baker, Murray V.、North, Michael R.、Skelton, Brian W.、White, Allan H.

  DOI：——

  日期：——