CH3N(CH2CH2NH-2,4-Me2C6H2)2 | 869882-17-7

• 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-2,4-Me2C6H2)2
• 英文别名: N'-[2-(2,4-dimethylanilino)ethyl]-N-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine
• CAS: 869882-17-7
• 化学式: C₂₁H₃₁N₃
• 分子量: 325.497
• InChiKey: RBOLGTCCQVCMTK-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：

  iron(II) chloride*1.5THF 、 CH3N(CH2CH2NH-2,4-Me2C6H2)2 以 正丁醇 为溶剂， 以0%的产率得到[Fe(CH3N(CH2CH2NH-2,4-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

• Functionalised dien ligands of the type (ArNHCH2CH2)2NR [R=Me, (2-C5H4N)CH2] and their complexes with iron and cobalt halides
  作者：Christopher J. Davies、Stephen J. Hilton、Gregory A. Solan、Wesley Stannard、John Fawcett

  DOI：10.1016/j.poly.2005.06.005

  日期：2005.10

  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.