cyclohexyl-N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)methanamine | 1609253-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: cyclohexyl-N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)methanamine
• 英文别名: 1-cyclohexyl-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine
• CAS: 1609253-74-8
• 化学式: C₁₉H₃₁N₅
• 分子量: 329.489
• InChiKey: PHCMKFURSDXWTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 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：

  cyclohexyl-N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)methanamine 、 zinc(II) chloride 以 乙醇 为溶剂， 反应 24.0h， 以91.5%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：

  3,5-二甲基吡唑-1-甲醇 、 环己甲胺 以 二氯甲烷 为溶剂， 反应 72.0h， 生成 cyclohexyl-N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)methanamine
  参考文献：
  名称：

  Cadmium(II) complexes containing N′-substituted N,N-bispyrazolyl ligands: The formation of 4- and 5-coordinated monomers versus 6-coordinated dimer

  摘要：

  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.

  DOI：

  10.1016/j.inoche.2014.03.027

文献信息

• N,N-비스피라졸릴계 리간드를 함유한 아연 착체, 고리형 에스테르기를 가진 모노머의 중합용 촉매 및 이를 이용한 폴리머의 제조 방법
  申请人：Kyungpook National University Industry-Academic Cooperation Foundation 경북대학교 산학협력단(220040016844) BRN ▼504-82-09678

  公开号：KR20170051867A

  公开（公告）日：2017-05-12

  N,N-비스피라졸릴계 리간드를 함유한 아연 착체, 고리형 에스테르기를 가진 모노머의 중합용 촉매 및 이를 이용한 폴리머의 제조 방법에서, 아연 착체는 하기 화학식 1로 나타낸다. [화학식 1] 화학식 1에서, Ar은 사이클로알킬기, 알콕시기 또는 할로겐기를 나타내고, L은 -(CH)- (이때, y는 1 내지 5의 정수) 또는 아릴렌기를 나타내고, R 내지 R는 각각 독립적으로 수소 또는 알킬기를 나타내며, X는 할로겐기를 나타낸다.

  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。
• 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.