bis[(3,5-dimethyl-1-pyrazolyl)methyl]-1-methylethylamine | 340967-07-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis[(3,5-dimethyl-1-pyrazolyl)methyl]-1-methylethylamine
• 英文别名: bis[(3,5-dimethyl-N-pyrazolyl)methyl]-isopropylamine；bis[(3,5-dimethyl-1-pyrazolyl)methyl]isopropylamine；Bis(3,5-dimethylpyrazol-1-ylmethyl)-i-propylamine；N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]propan-2-amine
• CAS: 340967-07-9
• 化学式: C₁₅H₂₅N₅
• 分子量: 275.397
• InChiKey: MFTCYAUYEHSVFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis[(3,5-dimethyl-1-pyrazolyl)methyl]-1-methylethylamine 以 二氯甲烷 、 乙腈 为溶剂， 生成 cis-[PdCl2(bis[(3,5-dimethyl-1-pyrazolyl)methyl]isopropylamine)]
  参考文献：
  名称：

  Exploring the coordination chemistry and reactivity of hemilabile N-alkylaminopyrazole ligands towards Pd(II)

  摘要：

  Reaction of the N-alkylaminopyrazole (NN'N) ligands bis[(3,5-dimethyl-1-pyrazolyl)methyl]ethylamine (bdmae) and bis[(3,5dimethyl-1-pyrazolyl)methyl]isopropylamine (bdmai) with [PdCl2(CH3CN)(2)] in a 1:1 M/L ratio in CH2Cl2 produces cis-[PdCl2(NN'N)] (NN'N= bdmae (1), bdmai (2)). The solid state structure of complex 1 was determined by X-ray diffraction studies. The bdmae ligand is coordinated through the two N-pz atoms to the metal atom, which completes its coordination with two chlorine atoms in a cis disposition.Treatment of the corresponding ligand with [PdCl2(CH3CN)(2)] in 1: 1 M/L ratio in the presence of AgBF4 and metathesis with NaBPh4 in CH2Cl2/CH3OH (3:1) gave [PdCl(bdmae)](BPh4) (3), and in the presence of NaBPh4 in CH2Cl2/CH3CN (3:1) gave [PdCl(bdmai)](BPh4) (4). Complexes 1 and 2 were again obtained when complexes 3 and 4 were heated under reflux in a solution of Et4NCl in acetonitrile. These Pd(II) compounds were characterised by elemental analyses, conductivity measurements, IR, H-I and C-13{H-1} NMR, HMQC and NOESY spectroscopies. The NMR studies of the complexes prove the rigid conformation of the ligands when they are complexed. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.05.046
• 作为产物：
  描述：

  3,5-二甲基吡唑-1-甲醇 、 异丙胺 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 以2.2 g of product are obtained (yield: 98%)的产率得到bis[(3,5-dimethyl-1-pyrazolyl)methyl]-1-methylethylamine
  参考文献：
  名称：

  Complex polymerization catalysts for the homopolymerization of ethylene and for the copolymerization of ethylene

  摘要：

  基于VIII族金属配合合适配体的复合催化剂，特别在乙烯的均聚和与另一种乙烯基和丙烯酸基的不饱和单体的共聚中表现出较高的活性。

  公开号：

  US20040082464A1

文献信息

• Synthesis and structural characterization of iron(II) derivatives of heterocyclic tridentate amines
  作者：Fausto Calderazzo、Ulli Englert、Chunhua Hu、Fabio Marchetti、Guido Pampaloni、Vincenzo Passarelli、Annamaria Romano、Roberto Santi

  DOI：10.1016/s0020-1693(02)01304-x

  日期：2003.2

  Compounds of general formula FeX2(L) L=2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine, C15H17N5; bis[3,5-dimethyl-N-pyrazolyl)methyl]-isopropylamine, C15H25N5; bis(benzimidazol-2-yl-methyl)amine, C16H15N5, 1,3-bis(benzimidazolyl)propane, C17H16N4; bis(benzimidazolyl-2-methyl)ether, C16H14N4O; bis(benzimidazolyl-2-methyl)thioether, C16H14N4S} have been synthesized by reacting the amine with Fe4Cl8(THF)(6) or FeI2(CO)(4) in toluene. The complexes FeCl2(Cl15H17N5).MeCN and FeCl2(C16H15N5)(MeOH) have been characterized by single crystal X-ray diffraction together with the parent triamines, C15H17N5 and C16H15N5, for comparison. The reaction of FeI2(CO)(4) with bis(benzimidazolyl-2-methyl)thioether, C16H14N4S, led to the product of partial carbonyl substitution Fel(2)(CO)(2)(C16H14N4S). (C) 2002 Elsevier Science B.V. All rights reserved.
• Organometallic rhodium (I) complexes with 1-alkylaminopyrazole ligands
  作者：Glòria Esquius、Josefina Pons、Ramón Yáñez、Josep Ros

  DOI：10.1016/s0022-328x(00)00662-8

  日期：2001.1

  New bidentate NN ' and tridentate NN 'N 1-alkylaminopyrazoles were synthesized and characterized by elemental analyses and spectroscopic methods. The reaction of [RhCl(cod)(2)] (cod = cycloocta-1,5-diene) with one equivalent of L 1-alkylaminopyrazoles afforded Rh2Cl2(L)(cod)(2) complexes (L = NN ' and NN 'N). These rhodium (I) compounds were studied by IR, H-1- and C-13-NMR and liquid mass (with electrospray and APCI interfaces) spectrometries. The H-1-NMR spectra and molar conductances of these complexes suggested the presence of 1:1 electrolyte species, [Rh(L)cod](+) [RhCl2(cod)](-), in solution. A combined electrospray and APCI liquid mass spectroscopy study confirmed the presence of both [Rh(L)cod](+) and [RhCl2(cod)](-) species in solution bur the existence of a neutral molecular form of complexes in solution could not be demonstrated. (C) 2001 Elsevier Science B.V. All rights reserved.
• COMPLEX POLYMERIZATION CATALYSTS FOR THE HOMOPOLYMERIZATION OF ETHYLENE AND FOR THE COPOLYMERIZATION OF ETHYLENE
  申请人：Polimeri Europa S.p.A.

  公开号：EP1268500A1

  公开（公告）日：2003-01-02
• [EN] COMPLEX POLYMERIZATION CATALYSTS FOR THE HOMOPOLYMERIZATION OF ETHYLENE AND FOR THE COPOLYMERIZATION OF ETHYLENE<br/>[FR] CATALYSEURS DE POLYMERISATION COMPLEXES POUR HOMOPOLYMERISATION DE L'ETHYLENE ET COPOLYMERISATION DE L'ETHYLENE
  申请人：ENICHEM SPA

  公开号：WO2001074831A1

  公开（公告）日：2001-10-11

  Complex catalysts based on a metal of group VIII complexed with suitable ligands, particularly active in the homopolymerization of ethylene and in its copolymerization with another unsaturated monomer of the vinylic and acrylic type.