N-((1H-pyrazol-1-yl)methyl)-N-(cyclohexylmethyl)(1Hpyrazol-1-yl)methanamine | 1609253-73-7

• 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-((1H-pyrazol-1-yl)methyl)-N-(cyclohexylmethyl)(1Hpyrazol-1-yl)methanamine
• 英文别名: N,N-bis((1H-pyrazol-1-yl)methyl)(cyclohexyl)methanamine；1-cyclohexyl-N,N-bis(pyrazol-1-ylmethyl)methanamine
• CAS: 1609253-73-7
• 化学式: C₁₅H₂₃N₅
• 分子量: 273.381
• InChiKey: YPKJTJIDSDLYCE-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：
  6
• 环数：
  3.0
• 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：

  N-((1H-pyrazol-1-yl)methyl)-N-(cyclohexylmethyl)(1Hpyrazol-1-yl)methanamine 、 zinc(II) chloride 以 乙醇 为溶剂， 反应 24.0h， 以90.2%的产率得到
  参考文献：
  名称：

  N,N-비스피라졸릴계 리간드를 함유한 아연 착체, 고리형 에스테르기를 가진 모노머의 중합용 촉매 및 이를 이용한 폴리머의 제조 방법

  摘要：

  在含有N，N-双吡唑基配体的锌配合物，含有环状酯基单体的聚合催化剂以及使用它们制备聚合物的方法中，锌配合物可以表示为以下化学式1。[化学式1] 在化学式1中，Ar表示环状烷基，醚基或卤素基，L表示-(CH)-（此时，y为1到5的整数）或芳基基团，R或R分别独立地表示氢或烷基，X表示卤素基。

  公开号：

  KR20170051867A
• 作为产物：
  描述：

  1-吡唑甲醇 、 环己甲胺 以 二氯甲烷 为溶剂， 反应 24.0h， 以80.2%的产率得到N-((1H-pyrazol-1-yl)methyl)-N-(cyclohexylmethyl)(1Hpyrazol-1-yl)methanamine
  参考文献：
  名称：

  N,N-비스피라졸릴계 리간드를 함유한 아연 착체, 고리형 에스테르기를 가진 모노머의 중합용 촉매 및 이를 이용한 폴리머의 제조 방법

  摘要：

  在含有N，N-双吡唑基配体的锌配合物，含有环状酯基单体的聚合催化剂以及使用它们制备聚合物的方法中，锌配合物可以表示为以下化学式1。[化学式1] 在化学式1中，Ar表示环状烷基，醚基或卤素基，L表示-(CH)-（此时，y为1到5的整数）或芳基基团，R或R分别独立地表示氢或烷基，X表示卤素基。

  公开号：

  KR20170051867A

文献信息

• Cobalt(II) complexes containing N′-substituted N,N′,N-bis((1H-pyrazol-1-yl)methyl)amine ligands: The formation of four-coordinate or five-coordinate complexes as a function of the N′-substitution group in N,N′,N-bis((1H-pyrazol-1-yl)methyl)amine
  作者：Sunghye Choi、Saira Nayab、Jongho Jeon、Sang Hyun Park、Hyosun Lee

  DOI：10.1016/j.ica.2015.09.008

  日期：2015.11

  N,N-bis((1H-pyrazol-1-yl)methyl)(cyclohexyl)methanamine (L-A), N,N-bis((1H-pyrazol-1-yl)methyl)-2,6-diethylbenzenamine (L-B), N,N-bis((1H-pyrazol-1-yl)methyl)-4-bromobenzenamine (L-C), N,N-bis((1H-pyrazol-1-yl)methyl)cyclohexanamine (L-D), N,N-bis((1H-pyrazol-1-yl)methyl)(furan-2-yl)methanamine (L-E), N,N-bis((1H-pyrazol-1-yl)methyl)-2-methoxyethanamine (L-F), and N,N-bis((1H-pyrazol-1-yl) methyl)-3-(methylthio)propan-1-amine (L-G) with [CoCl2.6H(2)O] in ethanol yield a novel series of Co(II) chloride complexes; i.e. [LnCoCl2] (L-n = L-A-L-G), respectively. The molecular structures of [LnCoCl2] (L-n = L-A-L-C) and [LnCoCl2] (L-n = L-D-L-G) exist as monomeric four-coordinated and five-coordinated complexes, respectively. [LnCoCl2] (L-n = L-A-L-C) showed a distorted tetrahedral geometry involving non-coordination of the nitrogen atom of the N'-substitution amine moiety and the Co(II) centre, resulting in the formation of an eight-membered chelate ring. The geometry at each Co(II) centre in [LnCoCl2] (L-n = L-D-L-G) were best described as a distorted trigonal bipyramid involving coordination of the nitrogen atom of the N'-substitution amine group and the Co(II) centre. Specifically, a distorted trigonal bipyramid was achieved in [LDCoCl2] through a coordinative interaction of the nitrogen atom of the cyclohexylamine unit and the Co(II) atom with an sigma plane of symmetry based on the bond length of Co-N-cyclcohexylamine [2.466(4) angstrom]. Moreover, [LDCoCl2] showed the highest activity for methyl methacrylate (MMA) polymerization in the presence of modified methylaluminoxane (MMAO) at 60 degrees C and yielded poly(methylmethacrylate) (PMMA) with a high molecular weight (M-w) and narrower polydispersity index (PDI) compared to the other Co(II) complexes. However, all Co(II) complexes produced syndiotactic (PMMA), characterised using H-1 NMR spectroscopy, with ca. 0.70. (C) 2015 Elsevier B.V. All rights reserved.
• Cadmium(II) complexes containing N′-substituted N,N-bispyrazolyl ligands: The formation of 4- and 5-coordinated monomers versus 6-coordinated dimer
  作者：Sunghye Choi、Sunghoon Kim、Ha-Jin Lee、Hyosun Lee

  DOI：10.1016/j.inoche.2014.03.027

  日期：2014.6

  Novel Cd (II) bromide complexes [LaCdBr2], [LbCdBr2] and [LcCd(mu-Br)Br](2) have been synthesized and characterized. [LaCdBr2] and [LbCdBr2] were distorted tetrahedral and trigonal bipyramidal geometry around metal, respectively, depending on the coordination of the nitrogen atom of N '-substituted amine moiety and the cadmium center. However, [LcCd(mu-Br)Br](2) reveals a bromo-bridged 6-coordinated dimeric species. Specifically, the catalytic activity of [LbCdBr2] (1.13 x 10(5) g PMMA/mol Cd.h) in the polymerization of methyl methacrylate (MMA) in the presence of modified methylaluminoxane (MMAO) at 60 degrees C was higher than that of [LaCdBr2] (5.03 x 10(4) g PMMA/mol Cd.h) and reference complex [CdCl2] (3.53 x 10(4) g PMMA/mol Cd.h). (C) 2014 Elsevier B.V. All rights reserved.