1-octyl-4,7,10-tetraazacyclododecane | 141794-31-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-octyl-4,7,10-tetraazacyclododecane
• 英文别名: 1-octyl-1,4,7,10-tetraazacyclododecane；1-Octyl-1,4,7,10-tetrazacyclododecane
• CAS: 141794-31-2
• 化学式: C₁₆H₃₆N₄
• 分子量: 284.489
• InChiKey: MSOPLDFDSDMYPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  39.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯乙酸 、 1-octyl-4,7,10-tetraazacyclododecane 在 sodium hydroxide 作用下， 反应 48.0h， 以90%的产率得到1-octyl-1,4,7,10-tetraazacyclododecane-4,7,10-triacetic acid tetrahydrochloride
  参考文献：
  名称：

  Synthesis of Lipophilic Paramagnetic Contrast Agents

  摘要：

  The facile, high-yielding synthesis of a series of macrocycles 7a-k in 75-100% yield is reported. The transformation of these compounds to their carboxymethylated analogues 8a-k in 75-90% yield and subsequent gadolinium complexes 9a-k provides a series of homologous neutral paramagnetic contrast agents (PCAs) with tunable lipophilicity. Alkylated cationic intermediates 6a-k are prepared in yields of 72-94% from glyoxal adduct of cyclen (5) and slight excesses of alkyl iodides. The methodology is selective for monoalkylation and amenable to large-scale synthesis.

  DOI：

  10.1021/jo981920r
• 作为产物：
  描述：

  1-碘辛烷 在 氢氧化钾 作用下， 以 甲苯 为溶剂， 反应 192.0h， 生成 1-octyl-4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  Synthesis of Lipophilic Paramagnetic Contrast Agents

  摘要：

  The facile, high-yielding synthesis of a series of macrocycles 7a-k in 75-100% yield is reported. The transformation of these compounds to their carboxymethylated analogues 8a-k in 75-90% yield and subsequent gadolinium complexes 9a-k provides a series of homologous neutral paramagnetic contrast agents (PCAs) with tunable lipophilicity. Alkylated cationic intermediates 6a-k are prepared in yields of 72-94% from glyoxal adduct of cyclen (5) and slight excesses of alkyl iodides. The methodology is selective for monoalkylation and amenable to large-scale synthesis.

  DOI：

  10.1021/jo981920r

文献信息

• Dishwasher detergent containing metal complexes
  申请人：Henkel AG & Co. KGaA

  公开号：US10358621B2

  公开（公告）日：2019-07-23

  The present disclosure relates to an automatic dishwasher detergent which comprises metal complex of formula Mn+L(Am−)n/m, wherein M is a metal cation, A is an arbitrary anion, n and m are integers selected from 1 to 6, and L is a neutral ligand of formula (II), wherein each X is as defined herein, and which exhibits improved cleaning performance in the removal of burnt-on soiling, to the use of this dishwasher detergent, and to a method for automatically washing dishes using this dishwasher detergent.

  本公开涉及一种自动洗碗机洗涤剂，它包括式 Mn+L(Am-)n/m 的金属络合物，其中 M 是金属阳离子，A 是任意阴离子，n 和 m 是选自 1 到 6 的整数，L 是式 (II) 的中性配体，其中每个 X 如本文所定义，它在去除烧焦的污垢方面具有更好的清洁性能，本公开还涉及这种洗碗机洗涤剂的用途，以及使用这种洗碗机洗涤剂自动清洗餐具的方法。
• INTERMEDIATES FOR CHELATING AGENTS WITH PREFIXED SYMMETRY AND PROCESS FOR THEIR PREPARATION
  申请人：BRACCO S.p.A.

  公开号：EP0545983A1

  公开（公告）日：1993-06-16
• DISHWASHER DETERGENT CONTAINING METAL COMPLEXES
  申请人：Henkel AG & Co. KGaA

  公开号：US20170321164A1

  公开（公告）日：2017-11-09

  The present disclosure relates to an automatic dishwasher detergent which comprises metal complex of formula M n+ L(Am m− ) n/m , wherein M is a metal cation, A is an arbitrary anion, n and m are integers selected from 1 to 6, and L is a neutral ligand of formula (II), wherein each X is as defined herein, and which exhibits improved cleaning performance in the removal of burnt-on soiling, to the use of this dishwasher detergent, and to a method for automatically washing dishes using this dishwasher detergent.
• US5424423A
  申请人：——

  公开号：US5424423A

  公开（公告）日：1995-06-13
• [EN] INTERMEDIATES FOR CHELATING AGENTS WITH PREFIXED SYMMETRY AND PROCESS FOR THEIR PREPARATION
  申请人：BRACCO INDUSTRIA CHIMICA S.P.A.

  公开号：WO1992004336A1

  公开（公告）日：1992-03-19

  (EN) The preparation of compounds of formula (I), wherein R and R1 have the meanings specified in claim 1, is disclosed; compounds (I) are useful intermediates for the preparation of chelating agents.(FR) L'invention décrit la préparation de composés de formule (I) dans laquelle R et R1 ont les significations spécifiées dans la revendication (1); ces composés sont des intermédiaires efficaces pour la préparation d'agents chélatants.