1-[1-[2-Methyl-3-[1-(2-oxoazepan-1-yl)ethoxy]-2-[1-(2-oxoazepan-1-yl)ethoxymethyl]propoxy]ethyl]azepan-2-one | 1620479-19-7

• 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: 1-[1-[2-Methyl-3-[1-(2-oxoazepan-1-yl)ethoxy]-2-[1-(2-oxoazepan-1-yl)ethoxymethyl]propoxy]ethyl]azepan-2-one
• 英文别名: 1-[1-[2-methyl-3-[1-(2-oxoazepan-1-yl)ethoxy]-2-[1-(2-oxoazepan-1-yl)ethoxymethyl]propoxy]ethyl]azepan-2-one
• CAS: 1620479-19-7
• 化学式: C₂₉H₅₁N₃O₆
• 分子量: 537.74
• InChiKey: DRFBNJOSHSRGTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  88.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-乙烯基己内酰胺 、 1,1,1-三(羟甲基)乙烷 在 三氟乙酸 作用下， 反应 24.0h， 生成 1-[1-[2-Methyl-3-[1-(2-oxoazepan-1-yl)ethoxy]-2-[1-(2-oxoazepan-1-yl)ethoxymethyl]propoxy]ethyl]azepan-2-one
  参考文献：
  名称：

  [EN] HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS
  [FR] ÉTHERS ET THIOÉTHERS HÉMIAMINAUX DE COMPOSÉS CYCLIQUES N-ALCÉNYLIQUES

  摘要：

  本文描述了可以通过反应制备的N-烯基环状化合物的半胺醚和硫醚，所述反应包括：（A）至少一个由结构（I）表示的第一反应物，其中X是一个官能化或非官能化的C1-C5烷基烯烃基团，可选地具有一个或多个杂原子，每个R1、R2和R3分别独立地选自氢和官能化和非官能化的烷基基团，可选地具有一个或多个杂原子；和（B）至少一个具有至少一个羟基基团或硫醇基团的第二反应物。N-烯基环状化合物的半胺醚和硫醚可能包括一个可聚合的基团，此时它们可以保持原样或用于制备同聚物或非同聚物，或者它们可能不包括可聚合的基团。可以使用N-烯基环状化合物的半胺醚和硫醚制备各种配方，包括个人护理、油田和建筑配方。

  公开号：

  WO2014116560A1

文献信息

• HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS
  申请人：ISP INVESTMENTS INC.

  公开号：US20150344461A1

  公开（公告）日：2015-12-03

  Described herein are hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds that may be produced through a reaction comprising: (A) at least one first reactant represented by a structure (I), wherein X is a functionalized or unfunctionalized C 1 -C 5 alkylene group optionally having one or more heteroatoms, and each R 1 , R 2 , and R 3 is independently selected from the group consisting of hydrogen and functionalized and unfunctionalized alkyl groups optionally having one or more heteroatoms, and (B) at least one second reactant having at least one hydroxyl moiety or thiol moiety. The hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds may comprise a polymerizable moiety, in which case they may be left as-is or used to create homopolymers or non-homopolymers, or they may not comprise a polymerizable moiety. A wide variety of formulations may be created using the hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds, including personal care, oilfield, and construction formulations.
• US9751866B2
  申请人：——

  公开号：US9751866B2

  公开（公告）日：2017-09-05
• [EN] HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS<br/>[FR] ÉTHERS ET THIOÉTHERS HÉMIAMINAUX DE COMPOSÉS CYCLIQUES N-ALCÉNYLIQUES
  申请人：ISP INVESTMENTS INC

  公开号：WO2014116560A1

  公开（公告）日：2014-07-31

  Described herein are hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds that may be produced through a reaction comprising: (A) at least one first reactant represented by a structure (I), wherein X is a functionalized or unfunctionalized C1-C5 alkylene group optionally having one or more heteroatoms, and each R1, R2, and R3 is independently selected from the group consisting of hydrogen and functionalized and unfunctionalized alkyl groups optionally having one or more heteroatoms, and (B) at least one second reactant having at least one hydroxyl moiety or thiol moiety. The hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds may comprise a polymerizable moiety, in which case they may be left as-is or used to create homopolymers or non-homopolymers, or they may not comprise a polymerizable moiety. A wide variety of formulations may be created using the hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds, including personal care, oilfield, and construction formulations.

  本文描述了可以通过反应制备的N-烯基环状化合物的半胺醚和硫醚，所述反应包括：（A）至少一个由结构（I）表示的第一反应物，其中X是一个官能化或非官能化的C1-C5烷基烯烃基团，可选地具有一个或多个杂原子，每个R1、R2和R3分别独立地选自氢和官能化和非官能化的烷基基团，可选地具有一个或多个杂原子；和（B）至少一个具有至少一个羟基基团或硫醇基团的第二反应物。N-烯基环状化合物的半胺醚和硫醚可能包括一个可聚合的基团，此时它们可以保持原样或用于制备同聚物或非同聚物，或者它们可能不包括可聚合的基团。可以使用N-烯基环状化合物的半胺醚和硫醚制备各种配方，包括个人护理、油田和建筑配方。