N,N-bis-[(3-carbomethoxy-5-methylpyrazol-1-yl)methyl]aniline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N,N-bis-[(3-carbomethoxy-5-methylpyrazol-1-yl)methyl]aniline
• 英文别名: methyl-1-[({[3-(methoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]methyl}anilino)methyl]-5-methyl-1H pyrazole-3-carboxylate；3,5'-dimethyl-N,N-Bis(pyrazol-1-yl methyl)aniline；methyl 1-[[N-[(3-methoxycarbonyl-5-methylpyrazol-1-yl)methyl]anilino]methyl]-5-methylpyrazole-3-carboxylate
• 化学式: C₂₀H₂₃N₅O₄
• 分子量: 397.434
• InChiKey: HTMVSPCHLDSQIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苯胺 、 1-(hydroxymethyl)-5-methyl 1H-pyrazole-3-carboxylate 以 乙腈 为溶剂， 反应 168.0h， 以94%的产率得到N,N-bis-[(3-carbomethoxy-5-methylpyrazol-1-yl)methyl]aniline
  参考文献：
  名称：

  Crystal Structure of N,N-bis-(3-Carbomethoxy-5-methyl-pyrazol-1-ylmethyl)aniline

  摘要：

  三元配体 N,N-双-(3-甲氧基-5-甲基吡唑-1-基)甲基苯胺 (2) 是由苯胺与两个等量的 N-羟甲基[3-甲氧基-5-甲基]吡唑缩合而成。该分子由两个结构类似的 3-甲氧羰基-5-甲基吡唑-1-基甲基组成，它们通过一个中央苯胺环形成一个横向构象，这表明这种三足配体具有很高的灵活性，可以通过配位容纳多种金属。

  DOI：

  10.3390/70900690

文献信息

• Synthesis of N,N′-bis and N,N,N′,N′-tetra-[(3,5-di-substituted-1-pyrazolyl)methyl]para-phenylenediamines: new candidate ligands for metal complex wires
  作者：Maria Daoudi、Najib Ben Larbi、Abdelali Kerbal、Brahim Bennani、Jean-Pierre Launay、Jacques Bonvoisin、Taibi Ben Hadda、Pierre H. Dixneuf

  DOI：10.1016/j.tet.2006.01.034

  日期：2006.3

  A series of tridentate ligands N,N-bis-[(di-substituted-1-pyrazolyl)methyl]arylamines 2–3a,b and benzylamine 4a,b, tetradentate N,N′-bis-[(di-substituted-1-pyrazolyl)methyl]para-phenylenediamines 7a,b and hexadentate N,N,N′,N′-tetra-[(di-substituted-1-pyrazolyl)methyl]para-phenylenediamines 8a,b has been prepared in good yield by condensation of arylamines, benzylamine or para-phenylenediamine with

  一系列三齿配体的Ñ，ñ -双- [（二取代-1-吡唑基）甲基]芳基胺2 -图3a，b和苄图4a，b，四齿Ñ，Ñ ' -双- [（二取代-1- -（吡唑基）甲基]对苯二胺7a，b和六齿的N，N，N '，N'-四-[（二取代-1-吡唑基）甲基]对苯二胺8a，b通过芳基胺，苄基胺或对苯二胺与N-羟甲基二取代的吡唑1a，b的缩合，可以高收率制备α-己内酰胺。描述了这些各种多齿配体的合成和表征。
• Solid-state detection of gases by use of thin films based on pyrazole units, and morphological characterization of the films by AFM
  作者：R. Touzani、S. El Kadiri、A. Zerrouki、G. Vasapollo、S. Scorrano、R. Del Sole、M. G. Manera、R. Rella

  DOI：10.1007/s11164-012-0541-x

  日期：2012.11

  Synthesis of a series of heterocyclic compounds based on pyrazole units is reported. The possibility of using these compounds, as solid-state thin layers deposited on quartz substrates, for optical recognition of hazardous pollutant gases was investigated. The gases SO2, NO2, CO, CH4, and NH3 were studied. Two of the ligand layers had reversible sensitivity toward SO2, with good reaction time. The presence of CO, CH4 NO2, and NH3 had no effect on the optical properties. Morphological characterization by use of AFM microscopy was also investigated.

  报道了基于吡唑单元的系列杂环化合物的合成。研究了这些化合物作为沉积在石英基板上的固态薄层，用于危险污染物气体的光学识别的可能性。研究了SO2、NO2、CO、CH4和NH3气体。其中两种配体层对SO2具有可逆敏感性，反应时间良好。CO、CH4、NO2和NH3的存在对光学性质没有影响。还通过AFM显微镜进行了形态学表征研究。
• Crystal Structure of N,N-bis-(3-Carbomethoxy-5-methyl-pyrazol-1-ylmethyl)aniline
  作者：Maria Daoudi、Najib Larbi、Driss Benjelloun、Abdelali Kerbal、Jean Launay、Jacques Bonvoisin、Joël Jaud、Mostafa Mimouni、Taibi Ben-Hadda

  DOI：10.3390/70900690

  日期：——

  The tripodal ligand N,N-bis-(3-carbomethoxy-5-methylpyrazol-1-yl)methyl aniline (2) has been prepared by the condensation of aniline with two equivalents of N-hydroxymethyl[3-carbomethoxy-5-methyl]pyrazole. The molecule consists of two structurally analogous 3-carbomethoxy-5-methylpyrazol-1-ylmethyl moieties, which adopt a transoidal conformation via a central aniline ring, suggesting that this tripodal ligand is highly flexible and could accommodate many metals by coordination.

  三元配体 N,N-双-(3-甲氧基-5-甲基吡唑-1-基)甲基苯胺 (2) 是由苯胺与两个等量的 N-羟甲基[3-甲氧基-5-甲基]吡唑缩合而成。该分子由两个结构类似的 3-甲氧羰基-5-甲基吡唑-1-基甲基组成，它们通过一个中央苯胺环形成一个横向构象，这表明这种三足配体具有很高的灵活性，可以通过配位容纳多种金属。