3,7-dimethyl-9-oxo-2,4-di-pyridin-2-yl-3,7-diaza-bicyclo[3.3.1]nonane-1,5-dicarboxylic acid diethyl ester | 5067-57-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 3,7-dimethyl-9-oxo-2,4-di-pyridin-2-yl-3,7-diaza-bicyclo[3.3.1]nonane-1,5-dicarboxylic acid diethyl ester
• 英文别名: Diethyl 3,7-dimethyl-9-oxo-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
• CAS: 5067-57-2
• 化学式: C₂₅H₃₀N₄O₅
• 分子量: 466.537
• InChiKey: QRIXZUNFFDIDKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• Process For Producing 3,7-Diaza-Bicyclo[3.3.1]Nonane-Metal Complexes
  申请人：Reinhardt Gerd

  公开号：US20130072685A1

  公开（公告）日：2013-03-21

  The invention describes a process for producing metal complexes of the general formula (2): [M a L x X n ]Y m (2), where M is a metal from the group comprising Mn(II), Mn(III), Mn(IV), Fe(II), Fe(III) or Fe(IV), X is a coordinated compound selected from mono- bi- or tri-charged anions or neutral molecules which are able to coordinate with a metal mono- bi- or tri-dentate, Y represents a non-coordinated counter-ion which ensures charge equalization of the complex, L represents a ligand of the general formula (1) or the protonized or de-protonized form thereof, and a, x, n, m, R, R 1 , R 2 , R 3 and z have the meaning specified in claim 1. Said process is characterized in that the reaction of a ligand of the formula (1) with an iron or manganese salt in a heterogeneous reaction is carried out in water, where the reaction is carried out in a temperature range of 35 to 50° C. and the pH value of the reaction mixture is from 1 to 3 after the addition of the iron or manganese salt.

  该发明描述了一种制备通式（2）的金属配合物的过程：[MaLxXn]Ym(2)，其中M是来自包括Mn(II)、Mn(III)、Mn(IV)、Fe(II)、Fe(III)或Fe(IV)的金属，X是一种配位化合物，选择从单、双或三价阴离子或能够与金属单、双或三齿配位的中性分子中，Y代表非配位的反离子，保证配合物的电荷平衡，L代表通式（1）或其质子化或去质子化形式的配体，a、x、n、m、R、R1、R2、R3和z的含义如权利要求书中所述。所述过程的特点在于，在水中进行一种配体的通式（1）与铁或锰盐的杂化反应，反应温度在35到50℃的范围内进行，加入铁或锰盐后，反应混合物的pH值为1到3。
• Method For Producing 3,7-Diaza-bicyclo[3.3.1]nonane metal complexes
  申请人：Sidot Christian

  公开号：US20140114073A1

  公开（公告）日：2014-04-24

  The invention relates to a method for producing metal complexes of formula (2) [M a L x X n ]Y m (2), where M is a metal from the group consisting of Mn(II), Mn(III), Mn(IV), Fe(II), Fe(III) or Fe(IV), X is a coordinating compound selected from mono-, bi- or tri-charged anions or neutral molecules which can coordinate to a metal in mono-, bi- or tri-dentate form, Y represents a non-coordinating counter-ion which ensures charge equalization of the complex, L represents a ligand of formula (1) or the protonized or de-protonized form thereof, and a, x, n, m, R, R 1 , R 2 , R 3 and z have the meanings described in claim 1 . Said method is characterized in that the reaction of one or more ligands of formula (1) with an iron salt or manganese salt is carried out in an acetone/water mixture in a temperature range from 0 to 50° C. and for this purpose a solution or a suspension of the one or more ligands of formula (1) in acetone is brought in contact with an aqueous metal salt solution of the iron salt or manganese salt in the temperature range in which the reaction takes place.

  本发明涉及一种制备公式（2）[MaLxXn]Ym(2)的金属配合物的方法，其中M是来自Mn（II），Mn（III），Mn（IV），Fe（II），Fe（III）或Fe（IV）的金属，X是选择自单价，双价或三价阴离子或中性分子的配位化合物，可以以单价，双价或三价形式协同到金属上，Y表示非配位的对离子，以确保配合物的电荷平衡，L表示公式（1）或其质子化或去质子化形式的配体，a，x，n，m，R，R1，R2，R3和z具有权利要求中所述的含义。所述方法的特点在于，在0至50℃的温度范围内，将一个或多个公式（1）的配体与铁盐或锰盐反应，用丙酮/水混合物进行反应。为此，在丙酮中溶解或悬浮一个或多个公式（1）的配体，并将其与铁盐或锰盐的水溶液在反应发生的温度范围内接触。
• VERFAHREN ZUR HERSTELLUNG VON 3,7-DIAZA-BICYCLO[3.3.1]NONAN-METALLKOMPLEX-LÖSUNGEN
  申请人：WeylChem Switzerland AG

  公开号：EP2531504B1

  公开（公告）日：2017-03-15
• VERFAHREN ZUR HERSTELLUNG VON 3,7-DIAZA-BICYCLO[3.3.1]NONAN-METALLKOMPLEXEN
  申请人：WeylChem Switzerland AG

  公开号：EP2531505B1

  公开（公告）日：2017-03-15
• Method For Producing 3,7-Diaza-Bicyclo[3.3.1]Nonane-Metal Complex Solutions
  申请人：Reinhardt Gerd

  公开号：US20130032754A1

  公开（公告）日：2013-02-07

  The invention relates to a method for producing homogeneous solutions of metal complexes of general formula (2): [M a L x X n ]Y m , where M is a metal from the group comprising Mn(II), Mn(III), Mn(IV), Fe(III), Fe(III) or Fe(IV), X is a coordinated compound selected from mono- bi- or tri-charged anions or neutral molecules which are able to coordinate with a metal mono- bi- or tri-dentate, Y is a non-coordinated counter-ion which ensures charge equalization of the complex, L is a ligand of general formula (1) or the protonized or de-protonized form thereof, and a, x, n, m, R, R 1 , R 2 , R 3 and z are as specified in claim 1 , in diols or polyols, the monoethers or mixtures of said substances. Said method is characterized in that a ligand of the formula (1) is reacted with an iron or manganese salt in a heterogeneous reaction in the diol or polyol, the monoethers or mixtures of these substances.