CH3N(CH2CH2NH-2,6-Me2C6H2)2 | 805324-05-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: CH3N(CH2CH2NH-2,6-Me2C6H2)2
• 英文别名: N'-[2-(2,6-dimethylanilino)ethyl]-N-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
• CAS: 805324-05-4
• 化学式: C₂₁H₃₁N₃
• 分子量: 325.497
• InChiKey: VYYBVIXMAMWEPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  27.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  CH3N(CH2CH2NH-2,6-Me2C6H2)2 、 cobalt(II) chloride 以 正丁醇 为溶剂， 以75%的产率得到[Co(CH3N(CH2CH2NH-2,6-Me2C6H3)2)Cl2]
  参考文献：
  名称：

  Functionalised dien ligands of the type (ArNHCH2CH2)2NR [R=Me, (2-C5H4N)CH2] and their complexes with iron and cobalt halides

  摘要：

  The alkylation of (ArHNCH2CH2)(2)NH with RX [RX = MeI, (2-C5H4N)CH2Cl] under basic conditions gives (ArHNCH2CH2)(22)-NMe (Ar = 2,6-Me2C6H3 L1a, 2,4-Me2C6H3 L1b) and (ArHNCH2CH2)(2){(2-C5H4N)CH2N (Ar = 2,4,6-Me3C6H2 L2a, 2,4-Me2C6H3 L2b) in moderate yield, respectively. Alternatively, L1a and L1b can be accessed by the arylation (with Ar-Br) of (H2NCH2CH2)(2)NMe in the presence of a catalytic quantity of Pd-2(dba)(3). Treatment of L1 with CoCl2 in n-BuOH gave high-spin [{(ArHNCH2CH2)(2)NMe}CoCl2] (Ar = 2,6-Me2C6H3 1a, 2,4-Me2C6H3 1b) in good yield; no reaction occurred with FeCl2. The molecular structure of la reveals a distorted trigonal bipyramidal geometry with the L1a adopting a mer-configuration. Reaction of L2 with MCl2 affords the cobalt and iron complexes, [{ArNHCH2CH2}(2)(2-C5H4N)CH2}NMCl2] (M = Co, Ar = 2,4,6-Me3C6H2 2a, 2,4-Me2C6H3 2b; M = Fe, Ar = 2,4,6-Me3C6H2 3a, 2,4-Me2C6H3 3b); the octahedral frameworks in 2a and 3a are found to be considerably distorted with one of the two M-N(mesityl-substituted) distances noticeably elongated [M-N 2.597(4)-2.795(2) angstrom]; no such inequivalence is observed in solution at room temperature. On activation with methylaluminoxane, complexes 1a and 1b display some activity for the oligomerisation of ethylene. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2005.06.005

文献信息

• Catalyst composition II
  申请人：——

  公开号：US20040266961A1

  公开（公告）日：2004-12-30

  This invention relates to a transition metal catalyst compound represented by the formula: LMX 2 or (LMX 2 ) 2 wherein each M is independently a Group 7 to 11 metal, preferably a Group 7, 8, 9, or 10 metal; each L is, independently, a tridentate or tetradentate neutrally charged ligand that is bonded to M by three or four nitrogen atoms, (where at least one of the nitrogen atoms is a central nitrogen atom and at least two of the nitrogen atoms are terminal nitrogen atoms), and at least two terminal nitrogen atoms are substituted with one C 3 -C 50 hydrocarbyl and one hydrogen atom or two hydrocarbyls wherein at least one hydrocarbyl is a C 3 -C 50 hydrocarbyl, and the central nitrogen atom is bonded to three different carbon atoms or two different carbon atoms and one hydrogen atom; X is independently a monoanionic ligand, or two X may join together to form a bidentate dianionic ligand.

  本发明涉及一种由式表示的过渡金属催化剂化合物：LMX 2 或（LMX 2 ) 2 其中每个 M 独立地是 7 至 11 族金属，最好是 7、8、9 或 10 族金属；每个 L 独立地是三叉或四叉带中性电荷的配体，该配体通过三个或四个氮原子与 M 结合（其中至少一个氮原子是中心氮原子，至少两个氮原子是末端氮原子），且至少两个末端氮原子被一个 C 3 -C 50 烃基和一个氢原子或两个烃基取代，其中至少一个烃基为 C 3 -C 50 烃基，且中心氮原子与三个不同的碳原子或两个不同的碳原子和一个氢原子键合；X 独立地为单阴离子配体，或两个 X 可连接在一起形成双齿二阴离子配体。
• Catalyst Composition II
  申请人：Solan Gregory Adam

  公开号：US20080319147A1

  公开（公告）日：2008-12-25

  This invention relates to a transition metal catalyst compound represented by the formula: LMX 2 or (LMX 2 ) 2 wherein each M is independently a Group 7 to 11 metal, preferably a Group 7, 8, 9, or 10 metal; each L is, independently, a tridentate or tetradentate neutrally charged ligand that is bonded to M by three or four nitrogen atoms, (where at least one of the nitrogen atoms is a central nitrogen atom and at least two of the nitrogen atoms are terminal nitrogen atoms), and at least two terminal nitrogen atoms are substituted with one C 3 -C 50 hydrocarbyl and one hydrogen atom or two hydrocarbyls wherein at least one hydrocarbyl is a C 3 -C 50 hydrocarbyl, and the central nitrogen atom is bonded to three different carbon atoms or two different carbon atoms and one hydrogen atom; X is independently a monoanionic ligand, or two X may join together to form a bidentate dianionic ligand.
• US7189791B2
  申请人：——

  公开号：US7189791B2

  公开（公告）日：2007-03-13
• US7371803B2
  申请人：——

  公开号：US7371803B2

  公开（公告）日：2008-05-13
• US8058372B2
  申请人：——

  公开号：US8058372B2

  公开（公告）日：2011-11-15