4,4'-methylenebis(cyclohexyl urea)

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 4,4'-methylenebis(cyclohexyl urea)
• 英文别名: dicyclohexylmethane-4,4'-diurea；N,N''-(methylenedi-4,1-cyclohexanediyl)bisurea；4,4'-methanediyl dicyclohexyldiurea；[4-[[4-(Carbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
• 化学式: C₁₅H₂₈N₄O₂
• 分子量: 296.413
• InChiKey: KYFXIMWDJMCPNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  110
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-methylenebis(cyclohexyl urea) 200.0~260.0 ℃ 、70.0 kPa 条件下， 生成 4,4-二异氰酸酯二环己基甲烷
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER

  摘要：

  公开号：

  EP2322504B9
• 作为产物：
  描述：

  4,4'-二氨基二环己基甲烷 、 尿素 在 4-肉桂苯酚 作用下， 反应 0.03h， 以95%的产率得到4,4'-methylenebis(cyclohexyl urea)
  参考文献：
  名称：

  ウレイド基を有する化合物の製造方法

  摘要：

  这是一种制备含有尿素基团的化合物的方法，作为制造异氰酸酯的中间体，该方法可以在短时间内高产率且高纯度地得到含有尿素基团的化合物，同时抑制传统制造方法中出现的副产物生成。该方法包括有机一级胺和尿素反应以制备含有尿素基团的化合物，其中将含有有机一级胺、尿素和芳香族羟基化合物的溶液在中空内部热传导面积为1~100 cm²/cm³的流动通道中以30℃以上的温度进行流通反应步骤。

  公开号：

  JP2015151355A

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。
• BIS-UREA GELATORS FOR CURABLE INK APPLICATIONS
  申请人：XEROX CORPORATION

  公开号：US20140213820A1

  公开（公告）日：2014-07-31

  The disclosure provides curable inks including a bis-urea gelator having the structure of Formula I. wherein R and R′ each, independently of the other, is a saturated aliphatic hydrocarbon group selected from the group consisting of (1) linear aliphatic groups, (2) branched aliphatic groups, (3) cyclic aliphatic groups, (4) aliphatic groups containing both cyclic and acyclic portions, any carbon atom of the saturated aliphatic hydrocarbon group may be optionally substituted with an alkyl group (cyclic or acyclic), wherein (1) and (2) groups have a carbon number of from about 1 to about 22 carbons, and wherein (3) and (4) groups have a carbon number of from about 4 to about 10 carbons; and X is selected from the group consisting of: (i) an alkylene group, (ii) an arylene group, (iii) an arylalkylene group, and (iv) an alkylarylene group.

  该披露提供了可治愈油墨，其中包括具有公式I结构的双脲凝胶剂，其中R和R'各自独立地是选择自以下群组的饱和脂肪族碳氢基团：（1）线性脂肪族基团，（2）支链脂肪族基团，（3）环状脂肪族基团，（4）同时含有环状和非环状部分的脂肪族基团，饱和脂肪族碳氢基团的任何碳原子均可选择性地被烷基取代（环状或非环状），其中（1）和（2）基团的碳数为约1至约22个碳原子，而（3）和（4）基团的碳数为约4至约10个碳原子；X选择自以下群组：（i）烷基链，（ii）芳基链，（iii）芳基烷基链，以及（iv）烷基芳基链。
• 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。
• SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP2626345A1

  公开（公告）日：2013-08-14

  An object of the present invention is to provide the separation of a mixture containing plural types of reversibly reacting compounds, especially, a method for efficiently separating an isocyanate from a mixture containing the isocyanate and a hydroxy compound, particularly, a method for efficiently separating an isocyanate and a hydroxy compound that form by the thermal decomposition of an N-substituted carbamic acid ester. The object is attained by a method for separating, with a multi-stage distillation column, a mixture containing an active hydrogen-containing compound (A) and a compound (B) that reversibly reacts with the active hydrogen-containing compound (A), the method comprising distillation-separating the active hydrogen-containing compound (A) and the compound (B) with the multi-stage distillation column in the presence of an intermediate-boiling-point inactive compound (C) that has a normal boiling point between a normal boiling point of the active hydrogen-containing compound (A) and a normal boiling point of the compound (B) and is chemically inactive for both of the (A) and the compound (B).

  本发明的目的是提供一种分离含有多种可逆反应化合物的混合物的方法，特别是一种从含有异氰酸酯和羟基化合物的混合物中有效分离异氰酸酯的方法，尤其是一种有效分离由N-取代氨基甲酸酯热分解形成的异氰酸酯和羟基化合物的方法。为实现上述目标，可采用一种方法，用多级蒸馏塔分离含有活性含氢化合物（A）和与活性含氢化合物（A）发生可逆反应的化合物（B）的混合物、该方法包括在中间沸点非活性化合物（C）存在的情况下，用多级蒸馏塔蒸馏分离活性含氢化合物（A）和化合物（B），中间沸点非活性化合物（C）的正常沸点介于活性含氢化合物（A）的正常沸点和化合物（B）的正常沸点之间，并且对活性含氢化合物（A）和化合物（B）均无化学活性。