3-(octadecyloxycarbonylamino-methyl)-3,5,5-trimethylcyclohexyl carbamic acid octadecyl ester

• 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
• 英文名称: 3-(octadecyloxycarbonylamino-methyl)-3,5,5-trimethylcyclohexyl carbamic acid octadecyl ester
• 英文别名: octadecyl N-[[1,3,3-trimethyl-5-(octadecoxycarbonylamino)cyclohexyl]methyl]carbamate
• 化学式: C₄₈H₉₄N₂O₄
• 分子量: 763.285
• InChiKey: RHGAFGKUHICPIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.1
• 重原子数：
  54
• 可旋转键数：
  39
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.96
• 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：

  硬脂醇 、 异佛尔酮二异氰酸酯 在 二月桂酸二丁基锡 作用下， 以 正己烷 为溶剂， 反应 1.0h， 以90%的产率得到3-(octadecyloxycarbonylamino-methyl)-3,5,5-trimethylcyclohexyl carbamic acid octadecyl ester
  参考文献：
  名称：

  DIURETHANE GELATORS FOR CURABLE INK APPLICATIONS

  摘要：

  本公开提供了一种具有I式结构的二尿素凝胶剂，其中R1和R1'各自独立地为来自以下群组的C1-C22饱和脂肪族烃基，所述群组包括(1) 线性脂肪族基，(2) 支链脂肪族基，(3) 环状脂肪族基，(4) 含有环状和非环状部分的脂肪族基，所述饱和脂肪族烃基的任何碳原子均可以选择性地被烷基取代（环状或非环状），其中(1) 和(2) 群组的碳数为约1到约22个碳，而(3) 和(4) 群组的碳数为约4到约10个碳; X选自以下群组：(i) 烷基，(ii) 芳基，(iii) 芳基烷基，以及(iv) 烷基芳基。

  公开号：

  US20140213816A1

文献信息

• Method for Producing Carbonyl Compund
  申请人：Shinohata Masaaki

  公开号：US20130178645A1

  公开（公告）日：2013-07-11

  A method for producing a carbonyl compound of the present invention comprises a step (X) of reacting a specific compound having a urea bond with a carbonic acid derivative having a carbonyl group (—C(═O)—) under heating at a temperature equal to or higher than the thermal dissociation temperature of the urea bond to obtain the carbonyl compound.

  本发明的生产羰基化合物的方法包括以下步骤（X）：将具有脲键的特定化合物与具有羰基（—C(═O)—）的碳酸衍生物在温度高于或等于脲键热解温度的条件下加热反应，以获得所述羰基化合物。
• 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：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。
• 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：US20140194650A1

  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.

  本发明是一种从有机胺、碳酸酯衍生物和含有一种或多种羟基化合物中制备N-取代的氨基甲酸酯的方法，其中利用一种尿素生产反应容器反应有机胺、碳酸酯衍生物和羟基化合物，该反应容器配有冷凝器，将含有羟基化合物的气体、由碳酸酯衍生物产生的含有羰基基团的化合物以及在反应中生成的氨引入到尿素生产反应容器中的冷凝器中，将羟基化合物和含有羰基基团的碳酸酯衍生物冷凝，其中在冷凝的羟基化合物中所含的羟基化合物的化学计量比与所冷凝的含有羰基基团的化合物的化学计量比为1或更多，而且所含有羰基基团的化合物中所含的羰基基团（-C(═O)-）的数量与从冷凝器中回收的氨分子数量的比率为1或更小。
• METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：EP3153499A1

  公开（公告）日：2017-04-12

  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.

  本发明是一种用有机胺、碳酸衍生物和含有一种或多种羟基化合物的羟基组合物生产由有机胺衍生的N-取代氨基甲酸酯的方法，其中有机胺、碳酸衍生物和羟基组合物在一个装有冷凝器的氨基甲酸乙酯生产反应釜中反应、使用配备有冷凝器的聚氨酯生产反应容器对碳酸衍生物和羟基组合物进行反应，将含有羟基组合物、从碳酸衍生物衍生出的具有羰基的化合物以及在反应中作为副产物形成的氨的气体引入聚氨酯生产反应容器中的冷凝器、缩合羟基组合物和具有碳酸衍生物衍生的羰基的化合物，其中缩合羟基组合物中所含的羟基化合物与具有碳酸衍生物衍生的羰基的缩合化合物的化学计量比为 1 或以上、且具有碳酸衍生物衍生的羰基的化合物中所含的羰基数（-C(=O)-）与从冷凝器中作为气体回收的氨中所含的氨分子数之比为 1 或更少。
• METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：EP3153500A1

  公开（公告）日：2017-04-12

  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.

  本发明是一种用有机胺、碳酸衍生物和含有一种或多种羟基化合物的羟基组合物生产由有机胺衍生的N-取代氨基甲酸酯的方法，其中有机胺、碳酸衍生物和羟基组合物在一个装有冷凝器的氨基甲酸乙酯生产反应釜中反应、使用配备有冷凝器的聚氨酯生产反应容器对碳酸衍生物和羟基组合物进行反应，将含有羟基组合物、从碳酸衍生物衍生出的具有羰基的化合物以及在反应中作为副产物形成的氨的气体引入聚氨酯生产反应容器中的冷凝器、缩合羟基组合物和具有碳酸衍生物衍生的羰基的化合物，其中缩合羟基组合物中所含的羟基化合物与具有碳酸衍生物衍生的羰基的缩合化合物的化学计量比为 1 或以上、且具有碳酸衍生物衍生的羰基的化合物中所含的羰基数（-C(=O)-）与从冷凝器中作为气体回收的氨中所含的氨分子数之比为 1 或更少。