N-(3-isocyanato-4-methylphenyl)-2-oxoazepane-1-carboxamide | 68144-77-4

• 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: N-(3-isocyanato-4-methylphenyl)-2-oxoazepane-1-carboxamide
• CAS: 68144-77-4
• 化学式: C₁₅H₁₇N₃O₃
• 分子量: 287.318
• InChiKey: IHAGLHQBUBQYBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(3-isocyanato-4-methylphenyl)-2-oxoazepane-1-carboxamide 生成 1-methyl-2,4-[(2-oxoazepane-1-carbonyl)amino]benzene
  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
• 作为产物：
  描述：

  己内酰胺 、 甲苯-2,4-二异氰酸酯 生成 N-(3-isocyanato-4-methylphenyl)-2-oxoazepane-1-carboxamide
  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

• SIZING AGENT FOR CARBON FIBER, CARBON FIBER WITH IMPROVED INTERFACIAL ADHESION, POLYMERIZATION REACTION TYPE CARBON FIBER-REINFORCED POLYMER COMPOSITE MATERIAL USING SAME, AND PRODUCTION METHOD THEREFOR
  申请人：KOREA INSTITUTE OF MACHINERY & MATERIALS

  公开号：US20190284751A1

  公开（公告）日：2019-09-19

  The present invention relates to a sizing agent for carbon fibers, a carbon fiber with improved interfacial adhesion, a polymerization reaction type carbon fiber-reinforced polymer composite material using the same, and a production method therefor and, more specifically, to a sizing agent for carbon fibers, comprising a phenoxy resin and a block isocyanate compound prepared through a reaction of ε-caprolactam with one of two isocyanate groups of a diisocyanate compound, and the production of a carbon fiber with improved interfacial adhesion using the same, a polymerization reaction type carbon fiber-reinforced polymer composite material using the carbon fiber with improved interfacial adhesion, and a production method therefor.

  本发明涉及一种用于碳纤维的分散剂、改善界面黏附的碳纤维、采用该分散剂制备的聚合反应型碳纤维增强聚合物复合材料以及其生产方法，更具体地，涉及一种用于碳纤维的分散剂，包括一种苯氧树脂和一种经由ε-己内酰胺与二异氰酸酯化合物的两个异氰酸基中的一个反应制备的块状异氰酸酯化合物，并使用该分散剂生产改善界面黏附的碳纤维，采用改善界面黏附的碳纤维制备的聚合反应型碳纤维增强聚合物复合材料，以及其生产方法。
• Polymerization initiators for fiber-reinforced polymer composites and materials made from the composites
  申请人：Manville, Johns

  公开号：EP2384885A1

  公开（公告）日：2011-11-09

  Coupling-initiator compounds are described that include a silicon-containing coupling moiety and at least one polymerization initiator moiety. The coupling moiety may be linked to the at least one polymerization initiator moiety by at least one linking moiety. The coupling moiety is capable of coupling the compound to a substrate, while the one or more polymerization initiator moieties are capable of initiating a polymerization of a monomer under polymerization conditions. The coupling-initiator compounds may be included in fiber reinforced polymer composites, where the compounds are coupled to the fibers in the composites and participate in the polymerization of the surrounding polymer.

  所述偶联引发剂化合物包括一个含硅偶联分子和至少一个聚合引发剂分子。偶联基团可通过至少一个连接基团与至少一个聚合引发剂基团相连。偶联基团可将化合物与基质偶联，而一个或多个聚合引发剂基团可在聚合条件下引发单体聚合。耦合引发剂化合物可包含在纤维增强聚合物复合材料中，其中的化合物与复合材料中的纤维耦合，并参与周围聚合物的聚合。
• POLYMERIZATION INITIATORS FOR FIBER-REINFORCED POLYMER COMPOSITES AND MATERIALS MADE FROM THE COMPOSITES
  申请人：Johns Manville

  公开号：EP3241835A1

  公开（公告）日：2017-11-08

  Coupling-initiator compounds are described that include a silicon-containing coupling moiety and at least one polymerization initiator moiety. The coupling moiety may be linked to the at least one polymerization initiator moiety by at least one linking moiety. The coupling moiety is capable of coupling the compound to a substrate, while the one or more polymerization initiator moieties are capable of initiating a polymerization of a monomer under polymerization conditions. The coupling-initiator compounds may be included in fiber reinforced polymer composites, where the compounds are coupled to the fibers in the composites and participate in the polymerization of the surrounding polymer.

  所述偶联引发剂化合物包括一个含硅偶联分子和至少一个聚合引发剂分子。偶联基团可通过至少一个连接基团与至少一个聚合引发剂基团相连。偶联基团可将化合物与基质偶联，而一个或多个聚合引发剂基团可在聚合条件下引发单体聚合。耦合引发剂化合物可包含在纤维增强聚合物复合材料中，其中的化合物与复合材料中的纤维耦合，并参与周围聚合物的聚合。
• Sizing agent for carbon fiber, carbon fiber with improved interfacial adhesion, polymerization reaction type carbon fiber-reinforced polymer composite material using same, and production method therefor
  申请人：KOREA INSTITUTE OF MACHINERY & MATERIALS

  公开号：US10570561B2

  公开（公告）日：2020-02-25

  The present invention relates to a sizing agent for carbon fibers, a carbon fiber with improved interfacial adhesion, a polymerization reaction type carbon fiber-reinforced polymer composite material using the same, and a production method therefor and, more specifically, to a sizing agent for carbon fibers, comprising a phenoxy resin and a block isocyanate compound prepared through a reaction of ε-caprolactam with one of two isocyanate groups of a diisocyanate compound, and the production of a carbon fiber with improved interfacial adhesion using the same, a polymerization reaction type carbon fiber-reinforced polymer composite material using the carbon fiber with improved interfacial adhesion, and a production method therefor.

  本发明涉及一种碳纤维用上浆剂、一种界面粘附力得到改善的碳纤维、一种使用该上浆剂的聚合反应型碳纤维增强聚合物复合材料及其生产方法，更具体地说，涉及一种碳纤维用上浆剂、包括苯氧基树脂和通过ε-己内酰胺与二异氰酸酯化合物的两个异氰酸酯基团中的一个反应制备的嵌段异氰酸酯化合物，以及使用该嵌段异氰酸酯化合物生产界面粘附性得到改善的碳纤维、使用界面粘附性得到改善的碳纤维生产聚合反应型碳纤维增强聚合物复合材料，以及其生产方法。
• SADOUN, TAHAR;CLOUET, GILBERT;BROSSAS, JEAN, MAKROMOL. CHEM., 188,(1987) N 6, 1367-1373
  作者：SADOUN, TAHAR、CLOUET, GILBERT、BROSSAS, JEAN

  DOI：——

  日期：——