(6,6'-dimethoxycarbonyl-2,2'-bipyridine)NiBr2 | 326822-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (6,6'-dimethoxycarbonyl-2,2'-bipyridine)NiBr2
• 英文别名: Dibromonickel;methyl 6-(6-methoxycarbonylpyridin-2-yl)pyridine-2-carboxylate
• CAS: 326822-01-9
• 化学式: C₁₄H₁₂Br₂N₂NiO₄
• 分子量: 490.758
• InChiKey: RRBKJXZPWQISHX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.41
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙二醇二甲醚溴化镍 、 二甲基2,2'-联吡啶-6,6'-二羧酸酯 以 二氯甲烷 为溶剂， 以4.7%的产率得到(6,6'-dimethoxycarbonyl-2,2'-bipyridine)NiBr2
  参考文献：
  名称：

  Four-coordinated bipyridine complexes of nickel for ethene polymerization—the role of ligand structure

  摘要：

  Four-co ordinated bipyridine complexes of nickel, (2,2'-bipyridine)NiBr2 (1), (6,6'-dimethoxycarbonyl-2,2'-bipyridine)NiBr2 (2), (2,2'-biquinoline)NiBr2 (3) and (2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)NiBr2 (4), were synthesized. Single crystal X-ray structures were determined for compounds 2 and 4. Both structures were monoclinic with space group P21/c. For 2 a = 8.4289(7), b = 13.5013(14), c = 14.7341(15) Angstrom, Z = 4. For complex 4 a = 12.8143(4), b = 22.5687(8), c = 7.8172(2) Angstrom, Z = 4, respectively. Catalytic activities of complexes were studied in ethene polymerization using MAO as a cocatalyst. Complexes 2 and 3 showed a modest activity producing high-density polyethene. Polymerization temperature had a clear effect on the activities of the complexes. Reactions carried at 50 degreesC yielded more polyethene than reactions at 30 or 70 degrees. The effect of ligand structure on catalytic activity was also observed, the bulky substituents increased activity. (C) 2000 Published by Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00618-5

文献信息

• Four-coordinated bipyridine complexes of nickel for ethene polymerization—the role of ligand structure
  作者：Toni-J.J Kinnunen、Matti Haukka、Tuula T Pakkanen、Tapani A Pakkanen

  DOI：10.1016/s0022-328x(00)00618-5

  日期：2000.11

  Four-co ordinated bipyridine complexes of nickel, (2,2'-bipyridine)NiBr2 (1), (6,6'-dimethoxycarbonyl-2,2'-bipyridine)NiBr2 (2), (2,2'-biquinoline)NiBr2 (3) and (2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)NiBr2 (4), were synthesized. Single crystal X-ray structures were determined for compounds 2 and 4. Both structures were monoclinic with space group P21/c. For 2 a = 8.4289(7), b = 13.5013(14), c = 14.7341(15) Angstrom, Z = 4. For complex 4 a = 12.8143(4), b = 22.5687(8), c = 7.8172(2) Angstrom, Z = 4, respectively. Catalytic activities of complexes were studied in ethene polymerization using MAO as a cocatalyst. Complexes 2 and 3 showed a modest activity producing high-density polyethene. Polymerization temperature had a clear effect on the activities of the complexes. Reactions carried at 50 degreesC yielded more polyethene than reactions at 30 or 70 degrees. The effect of ligand structure on catalytic activity was also observed, the bulky substituents increased activity. (C) 2000 Published by Elsevier Science B.V. All rights reserved.