[ReCl(CO)3(2,4,6-tris(2-pyridyl)-1,3,5-triazine)] | 226896-03-3

• 英文名称: [ReCl(CO)3(2,4,6-tris(2-pyridyl)-1,3,5-triazine)]
• 英文别名: [Re(CO)3(2,4,6-tris(2-pyridyl)-1,3,5-triazine)Cl]
• CAS: 226896-03-3
• 化学式: C₂₁H₁₂ClN₆O₃Re
• 分子量: 618.025
• InChiKey: ZWFQNPNNIJFPCD-UHFFFAOYSA-M

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：
  None
• 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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [ReCl(CO)3(2,4,6-tris(2-pyridyl)-1,3,5-triazine)] 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  2,4,6-三（2-吡啶基）-1,3,5-三嗪（TPT），[{ReCl（CO）3} n（TPT）]的单核和双核rh（I）羰基配合物（n = 1，2），并形成具有Re–TPT–M（M = MnII，CoII，CuII）键的混合金属化合物

  摘要：

  摘要分离出了新型单核络合物[ReCl（CO）3（TPT）]，其中三嗪配体以二齿螯合模式起作用。当该Re（I）络合物与{ReCl（CO）3}片段或与[M（hfac）2]（M = Mn，Co，Cu; hfac =六氟乙酰丙酮根离子）发生轻微反应时，证明了该Re（I）配合物的金属配体性质。 ）络合物，分别产生同核双核[{ReCl（CO）3} 2（TPT）]和异双金属[[CO）3 ClRe（TPT）M（hfac）2]物质。在甲醇溶液中，双核Re–TPT–Re络合物形成[{ReCl（CO）3} 2（TPT）]·MeOH络合物，其中甲氧基似乎与酸性三嗪环和未配位的氮原子相互作用吡啶基被质子化。一般来说，对-Re-TPT-Re络合物溶液的研究表明，它与溶剂分子之间的相互作用显然是以酸碱的方式发生的。另一方面，混合金属Re–TPT–M衍生物在溶液中发生离解反应，生成母体单核[ReCl（CO）3（TPT）]

  DOI：

  10.1016/s0277-5387(98)00394-5
• 作为产物：
  描述：

  五羰基氯铼(I) 、 2,4,6-三(2-吡啶基)三嗪 以 甲苯 为溶剂， 以99%的产率得到[ReCl(CO)3(2,4,6-tris(2-pyridyl)-1,3,5-triazine)]
  参考文献：
  名称：

  Extended terpyridyl and triazine complexes of d6-metal centres

  摘要：

  一系列易于获得的扩展型吡啶酮和扩展型三嗪配体与几种d6金属中心的反应已被研究。这使得九种新配合物的分离和表征得以实现，其中一种是首次报道的含有2,4,6-三(2-嘧啶基)-1,3,5-三嗪（tpymt）配体的过渡金属配合物。其中两种新配合物的分子结构已通过X射线晶体学研究得到了确认。研究显示，配体电子性质的变化导致其配位配合物的电化学和光物理性质发生变化。此外，含有[Re(CO)3(MeCN)]+中心的扩展型吡啶酮配合物的光发射特性表明，这些配合物的荧光源自扩展型吡啶酮基团间的配体态。

  DOI：

  10.1039/b208211j

文献信息

• Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes
  作者：Xiaoyuan Chen、Frank J. Femia、John W. Babich、Jon A. Zubieta

  DOI：10.1021/ic000446g

  日期：2001.6.1

  2,4,6-Tris(2-pyridyl)- 1,3,5-triazine (TPT) bridged dinuclear rhenium(I) tricarbonyl halide complexes with the composition mu -TPT)[ReX(CO)(3)](2) (3, X = Cl; 4, X = Br) can be made either by one-pot reaction of TPT with 2 equiv of [ReX(CO)(5)] (X = Cl and Br) in chloroform or by reacting mononuclear [ReX(CO)(3)(TPT)] (2) (1, X = Cl; 2, X = Br) with an excess amount of [ReX(CO)(5)]. Crystal data are as follows. 1: monoclinic, P2(1)/c, a 11.751(1) Angstrom, b = 11.376(1) Angstrom, c = 15.562(2) Angstrom, beta = 103.584(2)degrees V = 2022.0(4) Angstrom (3), Z = 4. 2: monoclinic, P2(1)/c, a 11.896(1) Angstrom, b = 11.396(1) Angstrom, c 15.655(1) Angstrom, beta = 104.474(2)degrees; V = 2054.9(3) Angstrom (3) Z = 4. 3: triclinic, P1, a 11.541(2) Angstrom, b = 12.119(2) Angstrom, c 13.199(2) Angstrom, alpha 80.377(2)degrees P 76.204(3)degrees, gamma = 66.826(2)degrees, V = 1642.5(4) Angstrom (3), Z = 2. Crystals of 4 crystallized from acetone: triclinic, P1, a = 11.586(5) Angstrom, b = 12.144(5) Angstrom, c = 13.364(6) Angstrom, alpha = 80.599(7)degrees beta = 76-271(8)degrees, gamma = 67.158(8)degrees V= 1678.0(12) Angstrom (3), Z = 2. Crystals of 4' are obtained from CH2Cl2-pentane solution: monoclinic, C2/c, a = 17.555(4) Angstrom, b = 15.277(3) Angstrom, c = 13.093(3) Angstrom, beta = 111.179(3)degrees, V = 3274.0(12) Angstrom (3), Z = 4. By contrast, similar reactions in the presence of methanol yielded complexes with the composition [mu -C3N3(OMe)(py)(2)(pyH)] [ReX(CO)(3)](2) (5, X = Cl; 6, X = Br). Crystal data for 5: monoclinic, C2/c, a = 26.952(2) Angstrom, b = 16.602(1) Angstrom, c = 14.641(1) Angstrom, beta =116.147(1)degrees, V = 5880.5(8) Angstrom (3), Z = 8 6: monoclinic, C2/c, a = 27.513(3) W, b = 16.740(2) Angstrom, c = 14.837(2) Angstrom, beta = 116.925(2)degrees, V = 6092.8(10) Angstrom (3), Z = 8. A, Unusual metal-induced methoxylation at the carbon atom of the triazine ring of the bridging TPT ligand was observed. The nucleophilic attack of MeO- on C(3) results in a tetrahedral geometry around the carbon atom. Concomitantly, the uncoordinated pyridyl ring is protonated and rotated into a perpendicular orientation relative to the central C3N3 ring. Reaction of TPT with [NEt4](2)[ReBr3-(CO)(3)] in benzene-methanol resulted in an unexpected dinuclear complex 7, with formulation [mu -C3N3(OMe)(py)(3)][Re(CO)(3)][ReBr(CO)(3)]. The methoxylated TPT ligand functions simultaneously as a tridentate and bidentate ligand with two fac-Re(CO)(3)+ cores. Crystal data for 7: monoclinic, P2(1)/n, a = 12.114(1) Angstrom, b = 14.878(1), c = 15.807(1) Angstrom, beta = 104.601(1)degrees, V = 2756.9(3) Angstrom (3), Z = 4.