IPDI二乙基己酯 | 185568-15-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 炔丙基型1，3-偶极有机化合物
• 中文名称: IPDI二乙基己酯
• 英文名称: monoderm I-8
• 英文别名: Diisooctyl IPDI；2-ethylhexyl N-[3-[(2-ethylhexoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
• CAS: 185568-15-4
• 化学式: C₂₈H₅₄N₂O₄
• 分子量: 482.748
• InChiKey: XQEIGFORGRLJGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  34
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-乙基己醇 、 异佛尔酮二异氰酸酯 生成 IPDI二乙基己酯
  参考文献：
  名称：

  Monohydric alcohol derived urethanes and their use in cosmetic formulations

  摘要：

  本发明涉及从单元醇（通常为脂肪醇）和二异氰酸酯衍生的二聚脲醇化合物，其反应方案如下：其中R1选自饱和、不饱和或卤素取代的直链、环状或支链烃基，R2是直链、环状或支链烷基或氨基烷基，碳原子数范围为2至200，优选为2至50个碳原子，更优选为6至36个碳原子，所述脲醇化合物基本上不含末端羟基。

  公开号：

  US06392087B1

文献信息

• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Shinohata Masaaki

  公开号：US20110133121A1

  公开（公告）日：2011-06-09

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明涉及一种从有机胺、碳酸衍生物和含有一种或多种羟基化合物中制得的N-取代氨基甲酸酯的制备方法，其中使用一种含有冷凝器的脲类生产反应容器反应有机胺、碳酸衍生物和羟基化合物，将含有羟基化合物的气体、来自碳酸衍生物衍生的含有羰基基团的化合物、以及在反应中形成的氨气体引入到脲类生产反应容器中的冷凝器中，使羟基化合物和含有羰基基团的化合物冷凝，其中在冷凝的羟基化合物中所含有的羟基化合物与冷凝的含有羰基基团的化合物中所含有的羰基基团的化合物的比例为1或更多，而且在从冷凝器中回收的氨气体中所含有的羰基基团（—C(═O)—）数与氨分子数的比例为1或更少。
• Verfahren zur Herstellung von N,O-disubstituierten Urethanen
  申请人：BAYER AG

  公开号：EP0027953A1

  公开（公告）日：1981-05-06

  Die Erfindung betrifft ein verbessertes Verfahren zur Herstellung von N,O-disubstituierten Urethanen durch Umsetzung von Harnstoff oder Polyureten mit primären Aminen und Alkoholen im Temperaturbereich von 120 - 350°C, wobei man als weitere Reaktionspartner N-unsubstituierte Urethane und/oder N-mono- oder N,N'-disubstituierte Harnstoffe bzw. Polyharnstoffe mitverwendet.

  本发明涉及一种通过在 120 - 350°C 温度范围内使脲或聚脲与伯胺和醇反应生产 N,O-二取代脲的改进工艺，其中 N-未取代脲和/或 N-单或 N,N'-二取代脲或聚脲也用作进一步反应物。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US20140194644A1

  公开（公告）日：2014-07-10

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.
• US4430505A
  申请人：——

  公开号：US4430505A

  公开（公告）日：1984-02-07
• US9145358B2
  申请人：——

  公开号：US9145358B2

  公开（公告）日：2015-09-29