N,N-bis{(1-H-pyrazole-1-yl)methyl}-2,6-diisopropylaniline | 1265389-00-1

• 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: N,N-bis{(1-H-pyrazole-1-yl)methyl}-2,6-diisopropylaniline
• 英文别名: N,N-bis((1H-pyrazol-1-yl)methyl)-2,6-diisopropylaniline；N,N-[bis(1H-pyrazol-1)methyl]-2,6-di(isopropyl)aniline；[2,6-diisopropylphenyl]-bis[(1H-pyrazol-1-yl)methyl]amine；2,6-di(propan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)aniline
• CAS: 1265389-00-1
• 化学式: C₂₀H₂₇N₅
• 分子量: 337.468
• InChiKey: FLBTXMVIRHHYKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  N,N-bis{(1-H-pyrazole-1-yl)methyl}-2,6-diisopropylaniline 以 乙腈 为溶剂， 反应 12.0h， 生成 [Cu(2,6-diisopropylphenyl)(CH₃CN)₂]PF₆
  参考文献：
  名称：

  含吡唑衍生配体的铜（I）化合物的合成与表征：碳-碳偶联反应的研究

  摘要：

  摘要方便地合成了一系列以吡唑为媒介的前驱体ArN [CH2（C3H3N2）] 2（Ar = 2,6-二异丙基苯基）（LN3）表现出的铜（I）化合物，并用有机小分子化合物对其进行了处理。分析了吡嗪和三苯基膦。室温下，使一当量的LN3和两当量的LN3与[Cu（CH3CN）4] PF6在CH3CN中反应，分别得到[Cu（LN3）（CH3CN）2] PF6（1）和[Cu（LN3）2] PF6（2）。高产。同样，当一当量的LN3和CuI在乙腈中反应12小时时，生成白色固体[Cu（LN3）] I（3）。此外，通过将一或两当量的PPh3加入到化合物1中，使用二氯甲烷作为溶剂分别制得[Cu（LN3）（PPh3）] PF6（4）和[Cu（LN3）（PPh3）2] PF6（5） ，产量令人满意。此外，通过在室温下在THF中处理化合物1和吡嗪，生成作为一维聚合物的化合物{[Cu（LN3）（C4H4N2）] 2（PF6）2}

  DOI：

  10.1016/j.ica.2015.07.018
• 作为产物：
  描述：

  1-吡唑甲醇 、 2,6-二异丙基苯胺 以 二氯甲烷 为溶剂， 反应 72.0h， 生成 N,N-bis{(1-H-pyrazole-1-yl)methyl}-2,6-diisopropylaniline
  参考文献：
  名称：

  含有 N'-芳香基团取代的 N,N',N-bis((1H-pyrazol-1-yl)methyl)amines 的锌 (II) 配合物：甲基丙烯酸甲酯和外消旋丙交酯的合成、表征和聚合

  摘要：

  摘要 基于 N,N',N-bis((1H-pyrazol-1-yl)methyl)amine 双齿配体的一系列新型 Zn(II) 配合物 [LnZnCl2] (Ln = LA - LF)，N,N-双((1H-吡唑-1-基)甲基)-3,5-二甲基苯胺[LA], N,N-双((1H-吡唑-1-基)甲基)-2,6-二甲基苯胺[LB], N,N-双((1H-吡唑-1-基)甲基)-2,6-二乙基苯胺[LC], N,N-双((1H-吡唑-1-基)甲基)-2,6-二异丙基苯胺[LD]、N,N-双((1H-吡唑-1-基)甲基)-4-溴苯胺[LE]和N,N-双((1H-吡唑-1-基)甲基)二苯甲基胺[LF] , 已被合成和表征。这些 Zn(II) 配合物的 X 射线结构显示出扭曲的四面体几何形状。Namine 和 [LnZnCl2] (Ln = LA - LF) 复合物中的 Zn(II) 中心之间不存在相互

  DOI：

  10.1080/00958972.2018.1437266

文献信息

• Synthesis, Structural Characterization and Biological Activity of Cu(II) Compounds Incorporating Pyrazole-derived Ligand: Effect on Cell Growth in Human Colorectal Carcinoma
  作者：Chen-Yi Li、Yu-Ling Lien、Amitabha Datta、Wan-Ting Chiu、Chin-Lin Hsu、Jui-Hsien Huang、Lance Horng、Chia-Her Lin、Chi-Jung Su

  DOI：10.1002/jccs.201100396

  日期：2012.6

  single crystal diffractometry. The effects of compounds 1 and 2 on the cell viability of various human cancer cells (including A549, COLO 205, HT‐29, Hep3B, HepG2, Huh7, and PCL5 cells) were investigated. The results indicate that compound 2 has a strong inhibitory effect on cell growth in human colorectal carcinoma cells (COLO 205 cells and HT‐29 cells).

  一系列含有中性多齿配体[2,6-二异丙基苯基]-双[（1-H-吡唑-1-基）甲基]胺（L 1）和吡唑二甲氧乙基配体[[1-合成了H-吡唑-1-基）甲基]双（2-甲氧基乙基）胺（L 2）。的反应大号1和大号2与铜（II）氯化物生成L个1的CuCl 2（1）和L 2的CuCl 2（2分别地）。化合物1和2已通过元素分析和X射线单晶衍射法表征。化合物的作用研究了各种人类癌细胞（包括A549，COLO 205，HT‐29，Hep3B，HepG2，Huh7和PCL5细胞）的细胞生存能力的第1和第2条。结果表明，化合物2对人结肠直肠癌细胞（COLO 205细胞和HT-29细胞）的细胞生长具有强烈的抑制作用。
• Synthesis, characterization, and MMA polymerization activity of tetrahedral Co (II) complex bearing N, N-bis(1-pyrazolyl)methyl ligand based on aniline moiety
  作者：Minkyu Yang、Won Jin Park、Keun Byoung Yoon、Jong Hwa Jeong、Hyosun Lee

  DOI：10.1016/j.inoche.2010.10.019

  日期：2011.1

  A new series of air-stable Co(II) complexes, [bpmaL1)CoCl2 (la), [bpmaL2]CoCl2 (2a), [bpmaL3]CoCl2 (3a), and [bpmaL4]CoCl2 (4a), where, for example, [bpmaL1 = N,N-bis(1-pyrazolyl)methyl}aniline], has been synthesized. X-ray crystallography of 2a indicated that it has a dipper-type structure in which the aniline moiety plays the role of the handle with a tetrahedral cobalt located at the edge with an eight-membered chelate ring formation. However, there is no indication that the metal is coordinated to the nitrogen of the aniline group. Moreover, complexes showed the highest catalytic activity in the polymerization of methyl methacrylate (MMA) in the presence of modified methylaluminoxane (MMAO) with an activity of 1.14 x 10(6) g PMMA/mol-Co center dot h at 60 degrees C and syndiotacticity of PMMA, characterized by C-13 NMR spectroscopy, which value was ca. 0.57. (c) 2010 Elsevier B.V. All rights reserved.
• Synthesis, structure, and magnetic properties of the halide-bridged dimeric complex [(bpmaL1)Fe(μ-Cl)Cl]2
  作者：Minkyu Yang、Eunhee Kim、Jong Hwa Jeong、Kil Sik Min、Hyosun Lee

  DOI：10.1016/j.ica.2012.09.010

  日期：2013.1

  Complexation of FeCl2 center dot 4H(2)O with N,N-Bis(1-Hpyrazole-1-yl)methyl}aniline [bpmaL(1)] gave air-stable dichloro-bridged binuclear iron(II) species (1a) having five-coordinated iron, which was characterised by X-ray crystallography and magnetic susceptibility. The geometry at each iron centre of 1a is a distorted trigonal bipyramid with two equivalent half-molecules providing overall C-i symmetry. One of the pyrazolyl nitrogen atoms (N1) and a chlorine atom (Cl2)# form one apex of the distorted trigonal bipyramid. The magnetic parameters indicated only a weak antiferromagnetic coupling, despite the presence of two chloro ions, and dominant zero-field-splitting parameters. The relatively long Fe center dot center dot center dot Fe distance of 3.8118(6) angstrom within the chloro-bridged dimer excludes direct interaction between the iron(II) ions. Thus, the antiferromagnetic coupling between the two iron(II) ions of 1a is attributed to superexchange through the chloride ions. Compared to the analogous cobalt complexes, the activity of a-olefin polymerization towards ethylene, norbornene, 1-octene and methyl methacrylate (MMA) was virtually zero, 1a is the first bis-pyrazole based dinuclear and five-coordinated iron(II) complex. (C) 2012 Elsevier B.V. All rights reserved.