[CrCl3(N,N-bis(benzimidazol-2-ylmethyl)methylamine)] | 765285-89-0

• 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: [CrCl3(N,N-bis(benzimidazol-2-ylmethyl)methylamine)]
• 英文别名: N,N-bis(1H-benzimidazol-2-ylmethyl)-N-methylamine chromium (III) chloride；1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylmethanamine;chromium(3+);trichloride
• CAS: 765285-89-0
• 化学式: C₁₇H₁₇Cl₃CrN₅
• 分子量: 449.71
• InChiKey: XHIZTDVKGLITBG-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  60.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-bis(1H-benzimidazol-2-ylmethyl)amine chromium (III) chloride hexafluoroantimonate tetrahydrofuran 、 [CrCl3(N,N-bis(benzimidazol-2-ylmethyl)methylamine)] 、 、 在 六氟锑酸银 作用下， 以 四氢呋喃 为溶剂， 生成 N,N-bis(1H-benzimidazol-2-ylmethyl)-N-methylamine chromium (III) chloride hexafluoroantimonate tetrahydrofuran
  参考文献：
  名称：

  Diene Polymerisation

  摘要：

  生产共轭二烯的同聚物或共聚物的过程，包括将至少含有一种共轭二烯的单体材料与催化剂体系接触，所述催化剂体系包括两种或更多不同的过渡金属化合物和可选的一个或多个活化剂。首选的过渡金属化合物基于钴和铬，特别是具有苯并咪唑配体的配合物。

  公开号：

  US20100022724A1
• 作为产物：
  描述：

  trichlorotris(tetrahydrofuran)chromium(III) 、 N,N-bis((1H-benzimidazol-2-yl)methyl)-N-methylamine 以 四氢呋喃 为溶剂， 反应 12.0h， 以93%的产率得到[CrCl3(N,N-bis(benzimidazol-2-ylmethyl)methylamine)]
  参考文献：
  名称：

  Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization

  摘要：

  The catalytic oligomerization of ethylene with chromium-based complexes containing bis(benzimidazolemethyl)amine (BIMA) ligands results in alternating distributions of linear alpha-olefins (LAOs). Extremely high activities are obtained (>100 000 g mmol(-1) h(-1) bar(-1)) with N-alkyl-substituted BIMA ligands, whereas bulky groups on the central nitrogen or alternative central donors result in much lower activities. Variations in the ligand backbone, as well as methylation of the benzimidazole units, lead to reduction in activity. The alternating LAO distributions have been mathematically analyzed using second -order recurrence relations. The shape of the distributions is affected by ethylene pressure (1-4 bar) and by the cocatalyst to some degree. On the basis of the results and analysis presented herein, we propose that the alternating behavior originates from the ability of these chromium BIMA catalysts to undergo single as well as double ethylene insertion reactions. A minor second distribution (<5 wt %) of 2-ethyl-1-alkenes is obtained under certain conditions, resulting from incorporation of 1-butene. DFT studies (MO6L) and experimental observations regarding the reaction between AIMe(3) and the N-methyl BIMA ligand 2 have shown that deprotonation of the benzimidazole N-H units can occur, which suggests a change in coordination of the BIMA ligand under oligomerization conditions.

  DOI：

  10.1021/acs.organomet.6b00671

文献信息

• Diene Polymerisation
  申请人：Jacobsen Grant Berent

  公开号：US20100022724A1

  公开（公告）日：2010-01-28

  A process for producing homopolymers or copolymers of conjugated dienes comprising contacting monomeric material comprising at least one conjugated diene with a catalyst system comprising two or more different transition metal compounds and optionally one or more activators. Preferred transition metal compounds are based on cobalt and chromium, especially complexes thereof having benzimidazole ligands.

  生产共轭二烯的同聚物或共聚物的过程，包括将至少含有一种共轭二烯的单体材料与催化剂体系接触，所述催化剂体系包括两种或更多不同的过渡金属化合物和可选的一个或多个活化剂。首选的过渡金属化合物基于钴和铬，特别是具有苯并咪唑配体的配合物。
• Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization
  作者：Atanas K. Tomov、James D. Nobbs、Juan J. Chirinos、Prabhjot K. Saini、Robert Malinowski、Sarah K. Y. Ho、Craig T. Young、David S. McGuinness、Andrew J. P. White、Mark R. J. Elsegood、George J. P. Britovsek

  DOI：10.1021/acs.organomet.6b00671

  日期：2017.2.13

  The catalytic oligomerization of ethylene with chromium-based complexes containing bis(benzimidazolemethyl)amine (BIMA) ligands results in alternating distributions of linear alpha-olefins (LAOs). Extremely high activities are obtained (>100 000 g mmol(-1) h(-1) bar(-1)) with N-alkyl-substituted BIMA ligands, whereas bulky groups on the central nitrogen or alternative central donors result in much lower activities. Variations in the ligand backbone, as well as methylation of the benzimidazole units, lead to reduction in activity. The alternating LAO distributions have been mathematically analyzed using second -order recurrence relations. The shape of the distributions is affected by ethylene pressure (1-4 bar) and by the cocatalyst to some degree. On the basis of the results and analysis presented herein, we propose that the alternating behavior originates from the ability of these chromium BIMA catalysts to undergo single as well as double ethylene insertion reactions. A minor second distribution (<5 wt %) of 2-ethyl-1-alkenes is obtained under certain conditions, resulting from incorporation of 1-butene. DFT studies (MO6L) and experimental observations regarding the reaction between AIMe(3) and the N-methyl BIMA ligand 2 have shown that deprotonation of the benzimidazole N-H units can occur, which suggests a change in coordination of the BIMA ligand under oligomerization conditions.
• Diene polymerisation
  申请人：Ineos Europe Limited

  公开号：US08124698B2

  公开（公告）日：2012-02-28

  Process for producing homopolymers or copolymers of conjugated dienes by contacting monomeric material having at least one conjugated diene with a catalyst system including two or more different transition metal compounds and optionally one or more activators. Preferred transition metal compounds are based on cobalt and chromium, especially complexes thereof having benzimidazole ligands.

  通过将至少含有一种共轭二烯的单体材料与包含两种或更多不同过渡金属化合物和可选的一个或多个活化剂的催化剂体系接触，生产共轭二烯的同聚物或共聚物的过程。首选的过渡金属化合物基于钴和铬，特别是具有苯并咪唑配体的配合物。