[(η4-tetramethylcyclobutadiene)Co(CO)(phenyl tetrazolate)] | 1309351-09-4

• 英文名称: [(η4-tetramethylcyclobutadiene)Co(CO)(phenyl tetrazolate)]
• CAS: 1309351-09-4
• 化学式: C₃₂H₃₄Co₂N₈O₂
• 分子量: 680.661
• InChiKey: HIUYPBMCNVJMDY-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

• 作为产物：
  描述：

  dicarbonyliodo(tetramethylcyclobutadiene)cobalt(I) 、 5-苯基四唑钾盐 以 四氢呋喃 为溶剂， 以44%的产率得到[(η4-tetramethylcyclobutadiene)Co(CO)(phenyl tetrazolate)]
  参考文献：
  名称：

  Tetramethylcyclobutadienecobalt(I) complexes containing pyrazolate or tetrazolate ligands with various coordination modes

  摘要：

  Treatment of Cb*Co(CO)(2)I (Cb* = eta(4)-C(4)Me(4)) with one equivalent of potassium 3,5-dimethylpyrazolate (Me(2)pzK) or potassium 3,5-bis(trifluoromethyl) pyrazolate ((CF(3))(2)pzK) in tetrahydrofuran at 0 degrees C afforded (eta(4)-C(4)Me(4)(Me(2)pz))Co(CO)(2) and Cb*Co((CF(3))(2)pz)(CO)(2) in 90 and 71% yields, respectively. Treatment of Cb*Co(CO)(2)I with one equivalent of Me(2)pzH followed by the addition of one equivalent Me2pzK in tetrahydrofuran afforded Cb*Co(Me(2)pzH)(Me(2)pz)(CO) in 74% yield. The reaction of Cb* Co(CO) 2I with one equivalent of potassium phenyl tetrazolate (PhtetzK) in tetrahydrofuran at 0 degrees C afforded [Cb*Co(Phtetz) (CO)](2) in 44% yield. The solid state structure of (eta(4)-C(4)Me(4)(Me(2)pz))Co(CO)(2) revealed nucleophilic addition of a pyrazolate nitrogen atom to a Cb* ligand carbon atom to afford a novel tetradentate ligand that bonds to the cobalt ion through an eta(3)-pi-allyl interaction and one pyrazolyl nitrogen atom. Two carbonyl ligands are also present. An X-ray crystal structure determination of Cb*Co((CF(3))(2)pz)(CO)(2) showed eta(1)-coordination of the (CF(3))(2)pz ligand and eta(4)-coordination of the Cb* ligand. The solid state structure of Cb* Co (Me(2)pz)(Me(2)pzH)(CO) is monomeric with one eta(1)-Me(2)pz, one eta(1)-Me(2)pzH, two carbonyl, and one eta(4)-Cb* ligands. The eta(1)-Me(2)pz and eta(1)-Me(2)pzH ligands are linked by a hydrogen bond involving the uncoordinated nitrogen atoms. The X-ray crystal structure determination of [Cb*Co(Phtetz)(CO)](2) showed a dimeric molecular structure with two mu:eta(1), eta(1)-Phtetz ligands connected to the cobalt ions through the 2- and 3-nitrogen atoms, on eta(4)-Cb* ligand, and one carbonyl ligand per cobalt center. (eta(4)-C(4)Me(4) (Me(2)pz))Co(CO)(2) is highly volatile and sublimes at 60 degrees C/0.03 Torr. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.10.046