1,4,8-三(氨甲酰基甲基)-1,4,8,11-四氮杂环十四烷 单氢碘 | 220554-75-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1,4,8-三(氨甲酰基甲基)-1,4,8,11-四氮杂环十四烷 单氢碘
• 中文别名: 1,4,8-三(氨甲酰基甲基)-1,4,8,11-四氮杂环十四烷单氢碘；1,4,8-三(氨甲酰基甲基)-1,4,8,11-四氮杂环十四烷单氢碘酸盐
• 英文名称: 1,4,8-tris(carbamoylmethyl)-1,4,8,11-tetraazacyclotetradecane hydroiodide
• 英文别名: 1,4,8-Tris(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane monohydriodide；2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide;hydroiodide
• CAS: 220554-75-6
• 化学式: C₁₆H₃₃N₇O₃*HI
• 分子量: 499.396
• InChiKey: JSJFTBJBERXHTP-UHFFFAOYSA-N

物化性质

• 熔点：
  221-223°C
• 稳定性/保质期：
  避免氧化和水分

计算性质

• 辛醇/水分配系数(LogP)：
  -2.65
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  151
• 氢给体数：
  5
• 氢受体数：
  7

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1,4,8-三(氨甲酰基甲基)-1,4,8,11-四氮杂环十四烷 单氢碘 在 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 72.0h， 生成 TE3AM.HI
  参考文献：
  名称：

  MATERIALS FOR THE SOLID/LIQUID EXTRACTION OF HEAVY METAL IONS, CONTAINING SUPPORTED N-FUNCTIONALIZED POLYAZACYLOALKANES

  摘要：

  本发明涉及一种特别适用于在水性介质中提取金属阳离子的材料，包括固体支撑物，其上附着有具有环的聚氮杂环烷化合物，该环至少包括4个氮原子，并且环的氮原子被配位基取代，其中每个配位基独立地为以下之一：配位基的化学式为：—(CH2)n—C(═O)—NR1R2或者既是配位又是结合基的化学式为：—(CH2)p—C(═O)—NR3-(A)-[支撑物]。该发明还涉及制备上述材料的方法以及它们的不同用途，特别是用于在水性介质中提取Pb2+阳离子。

  公开号：

  US20110079557A1
• 作为产物：
  描述：

  1,4,8,11-四氮杂环十四烷 、 氯乙酰胺 在 N,N-二异丙基乙胺 、 sodium iodide 作用下， 生成 1,4,8-三(氨甲酰基甲基)-1,4,8,11-四氮杂环十四烷 单氢碘
  参考文献：
  名称：

  Simple and high yielding regioselective synthesis of 1,4,8-tri(carbamoylmethyl)-1,4,8,11-tetraazacyclo-tetradecane hydroiodide

  摘要：

  Near quantitative synthesis of 1,4,8-tris(carbamoylmethyl)-1,4,8,11-tetraazacyclotetradecane hydroiodide (1) has been achieved by reacting the parent macrocycle 1,4,8,11-tetraazacyclotetradecane (cyclam) with iodoacetamide in acetone in the presence of diisopsopylethylamine as a base. The reaction stops at the trisubstituted stage even in the presence of a large excess of the reactants. This process represents the first example of a solubility controlled regioselective synthesis of a polyazamacrocyclic complexing agent; the driving force is the exceptionally low solubility of 1 in the reaction medium. 1 was hydrolyzed in acidic medium to the corresponding acetate derivative 1,4,8-tris(carboxylmethyl)-1,4,8,11-tetraazacyclotetradecane (2) in high yield. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02317-x

文献信息

• MATERIALS FOR THE SOLID/LIQUID EXTRACTION OF HEAVY METAL IONS, CONTAINING SUPPORTED N-FUNCTIONALIZED POLYAZACYLOALKANES
  申请人：Meyer Michel

  公开号：US20110079557A1

  公开（公告）日：2011-04-07

  The present invention relates to a material notably adapted for the extraction of metal cations in an aqueous medium, comprising a solid support on which are attached polyazacycloalkane compounds having a ring including at least 4 nitrogen atoms, and wherein the nitrogen atoms of the ring are substituted with coordinating groups, which each are independently: a coordinating group of formula: —(CH 2 ) n —C(═O)—NR 1 R 2 or else a both coordinating and binding group, fitting the formula: —(CH 2 ) p —C(═O)—NR 3 -(A)-[support]. The invention also relates to methods for preparing the aforementioned materials and to different uses thereof, notably for the extraction of Pb 2+ cations in an aqueous medium.

  本发明涉及一种特别适用于在水性介质中提取金属阳离子的材料，包括固体支撑物，其上附着有具有环的聚氮杂环烷化合物，该环至少包括4个氮原子，并且环的氮原子被配位基取代，其中每个配位基独立地为以下之一：配位基的化学式为：—(CH2)n—C(═O)—NR1R2或者既是配位又是结合基的化学式为：—(CH2)p—C(═O)—NR3-(A)-[支撑物]。该发明还涉及制备上述材料的方法以及它们的不同用途，特别是用于在水性介质中提取Pb2+阳离子。
• Simple and high yielding regioselective synthesis of 1,4,8-tri(carbamoylmethyl)-1,4,8,11-tetraazacyclo-tetradecane hydroiodide
  作者：István Lázár

  DOI：10.1016/s0040-4039(98)02317-x

  日期：1999.1

  Near quantitative synthesis of 1,4,8-tris(carbamoylmethyl)-1,4,8,11-tetraazacyclotetradecane hydroiodide (1) has been achieved by reacting the parent macrocycle 1,4,8,11-tetraazacyclotetradecane (cyclam) with iodoacetamide in acetone in the presence of diisopsopylethylamine as a base. The reaction stops at the trisubstituted stage even in the presence of a large excess of the reactants. This process represents the first example of a solubility controlled regioselective synthesis of a polyazamacrocyclic complexing agent; the driving force is the exceptionally low solubility of 1 in the reaction medium. 1 was hydrolyzed in acidic medium to the corresponding acetate derivative 1,4,8-tris(carboxylmethyl)-1,4,8,11-tetraazacyclotetradecane (2) in high yield. (C) 1998 Elsevier Science Ltd. All rights reserved.