1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-cyclohexanediyl)bis(hexahydro-2-oxo- | 68925-38-2

• 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: 1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-cyclohexanediyl)bis(hexahydro-2-oxo-
• 英文别名: 2-oxo-N-[4-[[4-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]azepane-1-carboxamide
• CAS: 68925-38-2
• 化学式: C₂₇H₄₄N₄O₄
• 分子量: 488.671
• InChiKey: PBNLUXBQGFTHPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  98.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  己内酰胺 、 4,4-二异氰酸酯二环己基甲烷 在 stannous octoate 作用下， 生成 1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-cyclohexanediyl)bis(hexahydro-2-oxo-
  参考文献：
  名称：

  Study on Blocking and Deblocking Kinetics of Diisocyanate with e-Caprolactam Using FTIR Spectroscopy

  摘要：

  甲苯二异氰酸酯（TDI）、二苯甲烷-4,4-二异氰酸酯（MDI）和二环己基甲基甲烷-4,4-二异氰酸酯（HMDI）用ε-己内酰胺封端的封端和解封反应分别在不同温度下通过FTIR光谱直接追踪。根据朗伯-比尔定律，利用反应物浓度与NCO基团吸光度之间的关系，计算出不同温度下浓度随时间的变化。结果表明，在60 ℃下，甲苯二异氰酸酯、ε-己内酰胺封闭的MDI的反应速率常数分别为4.05×10-3和6.53×10-2，而HMDI与催化剂的反应速率常数为3.56×10-3。在140 ℃下，己内酰胺封端的二异氰酸酯（TDI和MDI）的反应动力学等级分别为一级和二级，而封端的HMDI的反应为二级反应，选择辛酸亚锡为催化剂。采用阿伦尼乌斯方程分别求出封端二异氰酸酯（TDI、MDI和HMDI）的活化能。还通过TGA和FTIR研究了封端二异氰酸酯的解封过程。

  DOI：

  10.14233/ajchem.2013.oh67

文献信息

• AQUEOUS RESIN BASED INKJET INKS
  申请人：AGFA GRAPHICS NV

  公开号：US20170029639A1

  公开（公告）日：2017-02-02

  An inkjet ink includes a) an aqueous medium; and b) capsules composed of a polymeric shell surrounding a core; wherein the capsules are dispersed in the aqueous medium using a dispersing group covalently bonded to the polymeric shell; the core contains one or more chemical reactants capable of forming a reaction product upon application of heat and/or light; the polymeric shell includes a-polymer selected from the group consisting of polyureas, polyesters, polycarbonates, polyamides, and melamine based polymers and copolymers thereof; and the capsules have an average particle size of no more than 4 μm as determined by dynamic laser diffraction.

  一种喷墨墨水包括：a) 水性介质；和 b) 由聚合物壳包围的核心组成的胶囊；其中，使用共价键结合到聚合物壳上的分散基将胶囊分散在水性介质中；核心含有一个或多个化学试剂，能够在加热和/或光照作用下形成反应产物；聚合物壳包括从聚氨酯、聚酯、聚碳酸酯、聚酰胺和三聚氰胺基聚合物及其共聚物组成的α-聚合物；胶囊的平均粒径不超过4μm，通过动态激光衍射确定。
• SELF-DISPERSING CAPSULES
  申请人：AGFA GRAPHICS NV

  公开号：EP3081288A1

  公开（公告）日：2016-10-19

  A method for manufacturing capsules for an in inkjet ink including the steps of: a) preparing a non-aqueous solution of a first shell component for forming the polymeric shell and the one or more chemical reactants optionally in an organic solvent having a low miscibility with water and having a lower boiling point than water; b) preparing an aqueous solution of a second shell component for forming the polymeric shell and an amphoteric surfactant; c) dispersing the non-aqueous solution under high shear in the aqueous solution; d) optionally stripping the organic solvent from the mixture of the aqueous solution and the non-aqueous solution; and e) preparing a polymeric shell around the one or more chemical reactants by interfacial polymerization of the first and second shell components for forming the polymeric shell.

  一种制造喷墨墨水胶囊的方法，包括以下步骤a) 在与水混溶性低且沸点低于水的有机溶剂中，制备用于形成聚合物外壳的第一种外壳成分和一种或多种化学反应物的非水溶液； b) 制备用于形成聚合物外壳的第二种外壳成分和两性表面活性剂的水溶液；c) 在水溶液中以高剪切力分散非水溶液； d) 可选地从水溶液和非水溶液的混合物中剥离有机溶剂；以及 e) 通过用于形成聚合物外壳的第一和第二外壳组分的界面聚合，在一种或 多种化学反应物周围制备聚合物外壳。
• Aqueous resin based inkjet inks
  申请人：AGFA NV

  公开号：US10329440B2

  公开（公告）日：2019-06-25

  An inkjet ink includes a) an aqueous medium; and b) capsules composed of a polymeric shell surrounding a core; wherein the capsules are dispersed in the aqueous medium using a dispersing group covalently bonded to the polymeric shell; the core contains one or more chemical reactants capable of forming a reaction product upon application of heat and/or infrared light; and the capsules have an average particle size smaller than 4 μm as determined by dynamic laser diffraction.

  一种喷墨墨水包括 a) 水介质；和 b) 胶囊，胶囊由围绕核心的聚合物外壳组成；其中，胶囊使用与聚合物外壳共价键合的分散基团分散在水介质中；核心包含一种或多种化学反应物，能够在加热和/或红外光作用下形成反应产物；以及通过动态激光衍射法测定，胶囊的平均粒径小于 4 μm。
• Self-dispersing capsules
  申请人：AGFA NV

  公开号：US10478795B2

  公开（公告）日：2019-11-19

  A method for manufacturing capsules for an in inkjet ink includes the steps of a) preparing a non-aqueous solution of a first shell component for forming a polymeric shell and one or more chemical reactants optionally in an organic solvent having a low miscibility with water and having a lower boiling point than water; b) preparing an aqueous solution of a second shell component for forming the polymeric shell and an amphoteric surfactant; c) dispersing the non-aqueous solution under high shear in the aqueous solution; d) optionally stripping the organic solvent from the mixture of the aqueous solution and the non-aqueous solution; and e) preparing a polymeric shell around the one or more chemical reactants by interfacial polymerization of the first and second shell components for forming the polymeric shell.

  一种用于制造喷墨墨水胶囊的方法包括以下步骤：a) 在与水混溶性低且沸点比水低的有机溶剂中制备用于形成聚合物外壳的第一外壳成分和一种或多种化学反应物的非水溶液；b) 制备用于形成聚合物外壳的第二外壳成分和两性表面活性剂的水溶液；c) 在水溶液中以高剪切力分散非水溶液； d) 可选地从水溶液和非水溶液的混合物中剥离有机溶剂；以及 e) 通过用于形成聚合物外壳的第一和第二外壳组分的界面聚合，在一种或 多种化学反应物周围制备聚合物外壳。
• Methods for manufacturing printed textiles
  申请人：AGFA NV

  公开号：US10794000B2

  公开（公告）日：2020-10-06

  A method for manufacturing printed textiles includes the steps of: a) inkjet printing an image onto a textile substrate with one or more inkjet printing liquids containing thermally reactive composite resin particles in an aqueous medium; and b) fixing the inkjet printed image by applying directly and/or indirectly a heat treatment to the image; wherein the thermally reactive composite resin particles contain at least one thermal cross-linker and at least one polymeric resin containing functional groups suitable for reacting with the thermal cross-linker.

  一种制造印花纺织品的方法包括以下步骤：a) 用一种或多种在水介质中含有热反应复合树脂颗粒的喷墨印花液在纺织品基材上喷墨印花图像；b) 通过直接和/或间接对图像进行热处理来固定喷墨印花图像；其中热反应复合树脂颗粒含有至少一种热交联剂和至少一种含有适合与热交联剂反应的官能团的聚合物树脂。