2-[(3-dimethylamino-propylamino)-methyl] phenol | 225795-36-8

• 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: 2-[(3-dimethylamino-propylamino)-methyl] phenol
• 英文别名: 2-({[3-(Dimethylamino)propyl]amino}methyl)phenol；2-[[3-(dimethylamino)propylamino]methyl]phenol
• CAS: 225795-36-8
• 化学式: C₁₂H₂₀N₂O
• mdl: MFCD11146333
• 分子量: 208.304
• InChiKey: MULAZUQKYDJFFW-UHFFFAOYSA-N

物化性质

• 沸点：
  320.3±27.0 °C(Predicted)
• 密度：
  1.027±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  zinc diacetate 、 2-[(3-dimethylamino-propylamino)-methyl] phenol 以 甲醇 为溶剂， 以72%的产率得到Zn2(μ-OC6H4CH2NHC3H6N(CH3)2)(μ-CH3CO2)(CH3CO2)2
  参考文献：
  名称：

  水杨醛亚胺席夫碱-生成具有Ni（II）和Zn（II）离子的自组装和手性配合物。三重桥连的Ni（II）二聚体中异常的反铁磁相互作用

  摘要：

  水杨醛与N，N-二甲基-乙二胺/丙二胺的缩合反应制得的四种新的镍（II）和锌（II）与席夫碱配合物及其还原产物已通过光谱法和单晶X射线表征结构分析。配合物1是Ni（II）的六配位单核配合物，具有自组装的2D结构，具有交替的笼和垂直于c轴延伸的空腔。八角形空腔被水分子占据，该水分子弱氢键合到衬在这些空腔内侧的八个氧上。复杂2是具有两个面共享八面体的镍（II）的苯氧基和水桥联双核六配位络合物。的可变温度磁化率测量2显示了两种镍（II）中心之间的反铁磁性耦合的存在。据我们所知，它是Ni（II）的第一个二聚体复合物，由两个苯氧基和一个水分子三桥联结以显示这种行为。配合物3是Zn（II）的简单五配位单体，而配合物4是具有锌（II）离子且具有两种不同立体化学的手性双核配合物，该化合物通过同时拆分从非手性前体中获得。

  DOI：

  10.1016/j.poly.2012.03.029
• 作为产物：
  描述：

  2-(((3-(dimethylamino)propyl)imino)methyl)phenol 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 2-[(3-dimethylamino-propylamino)-methyl] phenol
  参考文献：
  名称：

  通过掺入额外的 Ni(II) 使双核 Ni(II) 复合物的儿茶酚酶样活性失活

  摘要：

  摘要 通过 Ni(ClO4)2·6H2O 与还原的席夫碱配体 [(3-二甲基氨基-丙基氨基)-甲基]-苯酚 (HL) 与苯甲酸的比例为 1:1:1。结构分析表明，配合物 1 是一种二-μ2-苯氧桥联的双核 Ni(II) 配合物，并具有一个额外的 syn-syn 苯甲酸酯桥。酶动力学研究表明它 (1) 在以 3,5-二叔丁基儿茶酚 (3,5-DTBC) 作为底物模拟儿茶酚酶样活性方面是有效的。动力学测量表明儿茶酚氧化的速率遵循催化剂的一级动力学。从 ESI-MS 光谱中确定反应过程中可能的中间体。复合物在 3 存在下的特征 EPR 光谱，5-DTBC 支持在催化氧化过程中形成半醌镍 (II) 作为中间物质。当合成以 3:2 的 Ni(II): HL 比例进行时，会产生一种不同的化合物 [Ni3L2(PhCOO)4] (2)，其中包含额外的 Ni(II)-苯甲酸盐。2具有线性三核结构，三齿还原

  DOI：

  10.1016/j.molcata.2016.08.012

文献信息

• Capillary Supercritical Fluid Chromatography/Mass Spectrometry of Phenolic Mannich Bases with Dimethyl Ether Modified Ethane as the Mobile Phase
  作者：Ulf Fuchslueger、Gunther Socher、Hans-Jörg Grether、Manfred Grasserbauer

  DOI：10.1021/ac981080g

  日期：1999.7.1

  bases [Formula: see text] which are used as hardeners and accelerators for epoxy resins [Formula: see text] by capillary supercritical fluid chromatography (SFC) with dimethyl ether modified ethane as the mobile phase is described. The elution properties of several different mobile phases with respect to amines are shown. SFC with UV detection is coupled via a custom-built interface to a mass spectrometer

  描述了通过毛细管超临界流体色谱法（SFC），以二甲醚改性的乙烷为流动相，对用作环氧树脂的固化剂和促进剂的酚醛曼尼希碱[式]进行分析。显示了几种相对于胺的流动相的洗脱特性。具有紫外线检测功能的SFC通过定制接口与具有大气压化学电离的质谱仪耦合。通过不同的生产工艺制备了两种技术上重要的曼尼希碱，并对其副产物进行了比较。讨论了二甲醚在电离过程中的作用以及酚类曼尼希碱的裂解。
• Versatile Chemical Recycling Strategies: Value‐Added Chemicals from Polyester and Polycarbonate Waste
  作者：Jack M. Payne、Muhammad Kamran、Matthew G. Davidson、Matthew D. Jones

  DOI：10.1002/cssc.202200255

  日期：2022.4.22

  degradation of various commercial polyesters and polycarbonates into value-added products (green solvents and chemical building blocks). We report the first example of discrete metal-mediated poly(bisphenol A carbonate) methanolysis being appreciably active at room temperature, whilst the production of several renewable poly(ester-amides)s demonstrates a completely circular PET waste upcycling approach.

  全圆：带有半萨兰配体的 Zn II配合物有助于将各种商业聚酯和聚碳酸酯温和选择性地降解为增值产品（绿色溶剂和化学结构单元）。我们报告了离散金属介导的聚（双酚 A 碳酸酯）甲醇分解在室温下明显活跃的第一个例子，而几种可再生聚（酯-酰胺）的生产证明了一种完全循环的 PET 废物升级回收方法。
• Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds
  申请人：——

  公开号：US20040266641A1

  公开（公告）日：2004-12-30

  The present invention relates to support-fixed bleaching catalyst(s)suitable or the catalysis of peroxide compounds, characterized in that the support-fixed bleaching catalyst(s) is/are covalently bonded to a support by means of at least one organic ligand of the bleaching catalyst. The bleaching catalyst(s) form(s) a complex with at least on transition metal. The invention further relates to support-fixed bleaching catalysts for the catalysis of peroxide compounds, where at least one ligand, covalently bonded to a support, is a transition-metal-free ligand, which chelates with transition metal, derived from another source, preferably from the bleaching composition and/or added water and thus forms the complex with a transition metal.

  本发明涉及适用于过氧化物催化的支撑固定漂白催化剂，其特征在于通过漂白催化剂的至少一个有机配体与支撑物共价键合而将支撑固定漂白催化剂共价键合到支撑物上。漂白催化剂与至少一种过渡金属形成复合物。本发明还涉及适用于过氧化物催化的支撑固定漂白催化剂，其中至少一个共价键合到支撑物上的配体是无过渡金属配体，它与来自另一来源的过渡金属螯合，优选地来自漂白组合物和/或加入的水，并因此形成与过渡金属的复合物。
• Synthesis, crystal structure, spectral and magnetic studies and catecholase activity of copper(II) complexes with di- and tri-podal ligands
  作者：Vimal K. Bhardwaj、Núria Aliaga-Alcalde、Montserrat Corbella、Geeta Hundal

  DOI：10.1016/j.ica.2009.09.041

  日期：2010.1

  Five complexes of copper(II) acetate with Schiff base ligands based on salicylaldehyde and N,N-dimethylamino) ethyl/propyl amine and their reduced products, have been synthesized and characterized by various spectroscopic methods. The solid state structures of 1, 2 and 3 have been determined using single crystal X-ray diffraction method. The structures of the other two compounds have been proposed on the basis of spectroscopic and physical methods. The compounds 1, 3 and 4 are dinuclear complexes of the tridentate ligands, where the two Cu(II) centers have square pyramidal geometry with bridging acetate or phenoxo groups. Each arm of the tripodand ligand forms a mononuclear, magnetically dilute complex 5 having five coordinated Cu(II) ions. Complex 2 is mononuclear with a square pyramidal stereochemistry. The catalytic performance of the oxidation of 3,5-di-tert-butylcatechol to quinone was studied using UV-Vis absorption spectral methods. Complex 4 exhibits the highest activity with a turn-over number of 41 h (1) while other showed lower rates of oxidation. A kinetic treatment on the basis of Michaelis-Menten model was applied. Ease of removal of the exogenous acetate ligands and easy access to the Cu(II) ions have been seen to affect the activity in the complexes. At the same time presence of two endogenous phenoxo bridges in the dinuclear complexes reduces the activity. (C) 2009 Elsevier B.V. All rights reserved.
• New functional models for catechol oxidases
  作者：Pavel Gentschev、Niclas Möller、Bernt Krebs

  DOI：10.1016/s0020-1693(99)00553-8

  日期：2000.4

  The new dinuclear copper(II) complexes [Cu-2(L1)(mu-OAc)](ClO4)(2). CH3CN (1), [Cu-2(L2)(CH3CN)(2)](ClO4)(4). C2H5OH (2), [Cu-2(L3)(2)(CH3CN)(2)](PF6)(2) (3) and [Cu-2(L4)(2)](PF6)(2). CH2Cl2 (4) were prepared with the ligands N,N,N',N'-tetrakis((N-2-hydroxy-ethyl)-2-benzimidazolylmethyl)-2-hydroxy-1,3-diaminopropane HL1, N,N,N',N'-tetrakis (2-methylimidazolyl)-2-hydroxy-1,3-diaminopropane HL2, (2-pyridylmethyl)(1-hydroxypropyl)amine HL3 and (2-hydroxybenzyl)(N,N-dimethylpropyl)amine HL4. All complexes were characterized by X-ray structure determination, revealing dinuclear cations and perchlorate or hexafluorophosphate counter ions. In the complex cations the two copper(II) atoms show different coordination spheres with N4O, N3O2 or N2O2 donor sets and different bridging systems. The Cu ... Cu distances vary from 2.918(2) to 4.756(2) Angstrom. The catalytic performance of the oxidation of 3,5-di-tert-butylcatechol to quinone was studied using UV-Vis absorption spectra methods. Complex 3 exhibits the highest activity with a turnover number of 32 h(-1) while the other compounds show lower rates of oxidation. A kinetic treatment on the basis of the Michaelis-Menten model was applied. (C) 2000 Elsevier Science S.A. All rights reserved.