1-(4-methoxy-3,5-dimethylpyridin-2-yl)-N-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N-(pyridin-2-ylmethyl)methanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(4-methoxy-3,5-dimethylpyridin-2-yl)-N-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N-(pyridin-2-ylmethyl)methanamine
• 英文别名: [bis(3,5-dimethyl-4-methoxy-2-pyridylmethyl)(2-pyridylmethyl)]amine；N,N-bis[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-pyridin-2-ylmethanamine
• 化学式: C₂₄H₃₀N₄O₂
• 分子量: 406.528
• InChiKey: YDGWIHHHOVWTMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4-methoxy-3,5-dimethylpyridin-2-yl)-N-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N-(pyridin-2-ylmethyl)methanamine 、 copper(ll) bromide 以 二氯甲烷 为溶剂， 以86%的产率得到[Cu^II(1-(4-methoxy-3,5-dimethylpyridin-2-yl)-N-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N-(pyridin-2-ylmethyl)methanamine)Br][Br]
  参考文献：
  名称：

  取代三（2-吡啶甲基）胺基铜配体的铜配合物的性质和ATRP活性

  摘要：

  合成，表征，电化学研究和ATRP活性的一系列新型铜（I和II）配合物与TPMA为基础的配体包含4-甲氧基-3,5-二甲基取代的吡啶臂。在固态下，发现Cu I（TPMA * 1）Br，Cu I（TPMA * 2）Br和Cu I（TPMA * 3）Br配合物在几何形状上呈四面体扭曲，并含有配位的溴化物阴离子。在Cu中观察到脂族氮原子与铜（I）中心的伪协调我（TPMA * 2）Br和铜我（TPMA * 3）溴复合物，而发生在铜吡啶臂解离我（TPMA * 1）Br。具有取代的TPMA配体的所有铜（I）配合物在溶液中均显示出高度的流动性。在低温下，发现Cu I（TPMA * 1）Br是对称和单体的，而在Cu I（TPMA * 2）Br和Cu I（TPMA * 3）Br。另一方面，固态铜（II）配合物的几何形状与理想的三角双锥体相背离，如τ值的减小所证实（[Cu II（TPMA * 1）Br] [Br]（τ=

  DOI：

  10.1021/ic502484s
• 作为产物：
  描述：

  2-氨甲基吡啶 、 2-氯甲基-3,5-二甲基-4-甲氧基吡啶盐酸盐 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以49%的产率得到1-(4-methoxy-3,5-dimethylpyridin-2-yl)-N-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N-(pyridin-2-ylmethyl)methanamine
  参考文献：
  名称：

  基于调节三脚架四胺-钴（II）配合物吡啶基衍生物立体效应的高效人工核酸酶介导DNA切割。

  摘要：

  四种钴（II）配合物[Co（L 1）Cl] PF 6 / ClO 4（C1-PF 6 / C1-ClO 4），[Co（L 2 Cl] PF 6（C2-PF 6），[Co （L 3）Cl] PF 6 / ClO 4 · H 2 O · CH 3 OH（C3-PF 6 / C3-ClO 4 · H 2 O · CH 3 OH）和[Co（L 4）Cl] PF 6 · 2H 2 O（C4-PF 6 · 2H 2O），其中L1-L4指[（3,5-二甲基-4-甲氧基-2-吡啶基甲基）双（2-吡啶基甲基）]胺，[（3,4-二甲氧基-2-吡啶基甲基）-（2 -[吡啶基甲基）]胺，[双（3,5-二甲基-4-甲氧基-2-吡啶基甲基）-（2-吡啶基甲基）]胺和{[双（3,4-二甲氧基-2-吡啶基）甲基]-（分别合成了2-吡啶基甲基）}胺并对其结构进行了表征。单晶X射线晶体学证实了配合物的三角双锥几何形状。在乙腈

  DOI：

  10.1002/ejic.201800276
• 作为试剂：
  描述：

  3-溴-3-甲基-2-丁酮 、 4,4,5,5-tetramethyl-2-styryl-[1,3,2]dioxaborolane 在 copper(l) iodide 、 六氟异丙醇 、 1-(4-methoxy-3,5-dimethylpyridin-2-yl)-N-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N-(pyridin-2-ylmethyl)methanamine 、 二异丙胺 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以32%的产率得到(E)-3,3-Dimethyl-5-phenyl-pent-4-en-2-one
  参考文献：
  名称：

  Radical-Organometallic Hybrid Reaction System Enabling Couplings between Tertiary-Alkyl Groups and 1-Alkenyl Groups

  摘要：

  Suzuki-Miyaura couplings of tertiary-alkyl moieties are accomplished in the presence of a copper catalyst, in which quaternary carbons possessing various functional groups can be synthesized via a radical reaction. Mechanistic studies revealed that 1-alkenylcopper(I) plays an important role in this coupling reaction. We expect that the radical-organometallic combined process will become one of the best options for the synthesis of quaternary carbons.

  DOI：

  10.1021/acscatal.8b01572

文献信息

• Copper(<scp>ii</scp>) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents
  作者：Salah S. Massoud、Febee R. Louka、Ada F. Tusa、Nicole E. Bordelon、Roland C. Fischer、Franz A. Mautner、Ján Vančo、Jan Hošek、Zdeněk Dvořák、Zdeněk Trávníček

  DOI：10.1039/c9nj00061e

  日期：——

  single X-ray crystallography. The in vitro cytotoxicity of the prepared Cu(II) complexes was evaluated against A2780 (ovarian), A2780R (cisplatin-resistant variant) and MCF7 (breast cancer) human cancer cell lines. Overall, the complexes revealed significant-to-moderate cytotoxicity, with the best results obtained for the complexes [Cu(BQPA)Cl]ClO4 (5-ClO4) and [Cu(BQPA)Cl]PF6 (5-PF6), showing IC50 values

  的配合物[铜（TPA）CL] CLO 4 ·½H 2 O（1-CLO 4），[Cu（上6- MeTPA）CL] CLO 4 / PF 6（ 2-CLO 4 / 2-PF 6），[铜（6-Me 2 TPA）Cl] PF 6（3-PF 6），[Cu（BPQA）Cl] ClO 4 / PF 6（4-ClO 4 / 4-PF 6），[Cu（BPQA）Cl] ClO 4 / PF 6（4-ClO 4 / 4-PF 6），[Cu（BQPA）Cl] ClO 4 / PF 6（5-ClO 4 / PF 6），[Cu（L 1）Cl] ClO 4 / PF 6（6-ClO 4 / 6-PF 6），[Cu（L 2）Cl] ClO 4（7-ClO 4）合成了[Cu（L 3）Cl] ClO 4（8-ClO 4），并通过光谱技术和单X射线晶体学对其结构进行了表征。在体外的细胞毒性所制备的铜（II）针对A2780（卵巢
• LIGANDS DESIGNED TO PROVIDE HIGHLY ACTIVE CATALYST COMPLEXES
  申请人：Carnegie Mellon University

  公开号：US20150087795A1

  公开（公告）日：2015-03-26

  A series of ligands with site specific electron donating substituents that form a catalyst complex with a transition metal and are suitable for catalysis of atom transfer radical reactions, including ATRP are described. Faster catalysis rates were observed allowing for low catalyst concentrations and linear increases in molecular weight with monomer conversion, and narrow molecular weight distributions. Cyclic voltammetry revealed that increasing the strength and number of conjugated electron donating groups resulted in more stable complexes and larger ATRP equilibrium constants.

  描述了一系列配体，具有特定位点的电子给体取代基，与过渡金属形成催化剂复合物，适用于催化原子转移自由基反应，包括ATRP。观察到更快的催化速率，允许低催化剂浓度和随单体转化率线性增加的分子量，以及较窄的分子量分布。循环伏安法揭示，增加共轭电子给体基团的强度和数量导致更稳定的复合物和更大的ATRP平衡常数。
• Di(2-picolyl)amines as Modular and Robust Ligands for Nickel-Catalyzed C(sp²)–C(sp³) Cross-Electrophile Coupling
  作者：Alexander J. Rago、Aristidis Vasilopoulos、Amanda W. Dombrowski、Ying Wang

  DOI：10.1021/acs.orglett.2c03346

  日期：2022.11.25

  reaction, because noncommercial analogues usually entail challenging syntheses. In this work, di(2-picolyl)amines (DPAs) are explored as an alternative modular ligand class for the nickel-catalyzed aryl–alkyl cross-electrophile coupling. Novel DPA ligands were synthesized directly from inexpensive amine and pyridine building blocks in a single step. This facile synthetic route enabled the parallel synthesis

  镍催化的芳基-烷基偶联反应依赖于使用一组有限的市售双齿含氮配体来实现反应，因为非商业类似物通常需要具有挑战性的合成。在这项工作中，二（2-皮考基）胺 (DPA) 被探索为镍催化的芳基-烷基交叉亲电子偶联的替代模块化配体类别。新型 DPA 配体直接由廉价的胺和吡啶结构单元一步合成。这种简单的合成路线能够平行合成具有不同空间和电子特性的 DPA 配体。从这个配体集合中，C(sp 2 )–C(sp 3) 交叉亲电子偶联在一系列不同分子的交叉偶联中被识别和测试，包括后期功能化的模型示例。
• Surfactant assisted formation of a catalyst complex for emulsion atom transfer radical polymerization processes
  申请人：CARNEGIE MELLON UNIVERSITY

  公开号：US11174325B2

  公开（公告）日：2021-11-16

  Systems and methods for Atom Transfer Radical Polymerization (ATRP) emulsion polymerization are provided. The ATRP emulsion polymerization comprises a suspending medium, a dispersed medium, a surfactant, a transition metal compound in a higher oxidation state, a ligand, and an ATRP initiator. The transition metal compound is capable of forming a catalyst complex in a presence of the ligand. The catalyst complex is soluble in the suspending medium and is capable of forming an ionic complex with the surfactant. The ionic complex is capable of moving between the suspending medium and the dispersed medium. A portion of the transition metal compound in the higher oxidation state within a portion of the catalyst complex is reduced by a physical and/or a chemical procedure thereby initiating a polymerization of one or more radically (co)polymerizable monomers by reaction with the initiator.

  本发明提供了原子转移自由基聚合（ATRP）乳液聚合的系统和方法。ATRP 乳化聚合包括悬浮介质、分散介质、表面活性剂、高氧化态过渡金属化合物、配体和 ATRP 起始剂。过渡金属化合物能在配体存在下形成催化剂复合物。催化剂络合物可溶于悬浮介质，并能与表面活性剂形成离子络合物。离子络合物可在悬浮介质和分散介质之间移动。催化剂络合物的一部分中处于较高氧化态的过渡金属化合物通过物理和/或化学程序被还原，从而通过与引发剂反应引发一种或多种可辐射（共）聚合单体的聚合。
• SURFACTANT ASSISTED FORMATION OF A CATALYST COMPLEX FOR EMULSION ATOM TRANSFER RADICAL POLYMERIZATION PROCESSES
  申请人：CARNEGIE MELLON UNIVERSITY

  公开号：US20200055967A1

  公开（公告）日：2020-02-20

  Systems and methods for Atom Transfer Radical Polymerization (ATRP) emulsion polymerization are provided. The ATRP emulsion polymerization comprises a suspending medium, a dispersed medium, a surfactant, a transition metal compound in a higher oxidation state, a ligand, and an ATRP initiator. The transition metal compound is capable of forming a catalyst complex in a presence of the ligand. The catalyst complex is soluble in the suspending medium and is capable of forming an ionic complex with the surfactant. The ionic complex is capable of moving between the suspending medium and the dispersed medium. A portion of the transition metal compound in the higher oxidation state within a portion of the catalyst complex is reduced by a physical and/or a chemical procedure thereby initiating a polymerization of one or more radically (co)polymerizable monomers by reaction with the initiator.