CoCl2(2,6-bis(N-methylbenzimidazyl)pyridine) | 149006-19-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: CoCl2(2,6-bis(N-methylbenzimidazyl)pyridine)
• 英文别名: 2,6-bis(1'-methylbenzimidazol-2'-yl)pyridine cobalt(II) chloride；Cobalt(2+);1-methyl-2-[6-(1-methylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole;dichloride
• CAS: 149006-19-9
• 化学式: C₂₁H₁₇Cl₂CoN₅
• 分子量: 469.299
• InChiKey: QXGQKODEHMVSAY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.81
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 2,6-二(1-甲基苯并咪唑-2-基)吡啶 以 tetrahydrofuran 为溶剂， 以90%的产率得到CoCl2(2,6-bis(N-methylbenzimidazyl)pyridine)
  参考文献：
  名称：

  Stereospecific polymerizations of 1,3-butadiene catalyzed by Co(II) complexes ligated by 2,6-bis(benzimidazolyl)pyridines

  摘要：

  The tridentate 2,6-bis(benzimidazolyl)pyridine ligands were combined with CoCl2 to prepare a series of complexes of the general formula: [Py(Bm-R)(2)]CoCl2 (where Py = pyridyl, Bm=benzimidazolyl, R=H (3a); -Me (3b); -Bz (3c)). These complexes were characterized by mass and elemental analysis, along with X-ray diffraction analysis. The geometry around the five coordinated Co atom in 3c consists of a distorted square pyramid in which cobalt is surrounded by tridentate NICA ligand and two chlorines. The Co(II) complexes exhibited high catalytic activities for the polymerization of 1.3-butadiene on activation with alkylaluminums to yield predominantly cis-1,4-polybutadiene with high molecular weight. Choice of cocatalysts was found to be a decisive factor in determining the activity and product microstructure. Ethylaluminum sesquichloride (EASC) was found to be the most efficient one resulting in polymers with about 97% 1,4-cis content. The ligand modification by N-alkylation shows considerable influence on the catalytic activity by virtue of variation of electronic environment of the active centers. The stereoselectivity of the catalysts was consistent for a wide range of reaction conditions, except the formation of a considerable amount of 1,4-trans inserted units at high temperature. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2010.04.002

文献信息

• Cooperative Bimetallic Co−Mn Catalyst: Exploiting Metallo‐Organic and Hydrogen Bonded Interactions for Rechargeable C‐/N‐Alkylation
  作者：Manohar Shivaji Padmor、Palak Vishwakarma、Srinu Tothadi、Sanjay Pratihar

  DOI：10.1002/cctc.202300828

  日期：2023.10.20

  a reusable catalyst for C-/N-alkylation of alcohols with higher reaction efficiency and selectivity compared to individual components via its flexible binding sites, diverse hydrogen bond donor-acceptor fragments, rigidity, variable coordination mode, and cooperativity.

  本文公开了一种用于Co/Mn基超分子材料的柔性多齿配体(L)，作为可重复使用的醇C-/N-烷基化催化剂，与单个组分相比，通过其柔性结合位点具有更高的反应效率和选择性，多样的氢键供体-受体片段、刚性、可变的配位模式和协同性。
• Gayathri, V.; Shashikala, N.; Gowda, N. M. Nanje, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1993, vol. 32, # 1-3, p. 33 - 38
  作者：Gayathri, V.、Shashikala, N.、Gowda, N. M. Nanje、Reddy, G. K. N.

  DOI：——

  日期：——