N,N'-(4,4'-methanediyl-dicyclohexyl)-di(carbamic acid (4-ethylphenyl) ester) | 1266555-02-5

• 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,N'-(4,4'-methanediyl-dicyclohexyl)-di(carbamic acid (4-ethylphenyl) ester)
• 英文别名: (4-ethylphenyl) N-[4-[[4-[(4-ethylphenoxy)carbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate
• CAS: 1266555-02-5
• 化学式: C₃₁H₄₂N₂O₄
• 分子量: 506.685
• InChiKey: ZRHRKHUILLDJIG-UHFFFAOYSA-N

物化性质

• 沸点：
  614.1±55.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-(4,4'-methanediyl-dicyclohexyl)-di(carbamic acid (4-ethylphenyl) ester) 260.0 ℃ 、1.3 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 以 2-(1,1-二甲基丙基)苯酚 为溶剂， 100.0~200.0 ℃ 、70.0 kPa 条件下， 生成 N,N'-(4,4'-methanediyl-dicyclohexyl)-di(carbamic acid (4-ethylphenyl) ester)
  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

文献信息

• 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。
• Separation method and method for producing isocyanate
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：US11192853B2

  公开（公告）日：2021-12-07

  Disclosed is 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).

  本发明公开了一种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）的混合物的方法、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，且对活性含氢化合物（A）和化合物（B）均无化学活性。
• Separation Method and Method for Producing Isocyanate
  申请人：Shinohata Masaaki

  公开号：US20130184488A1

  公开（公告）日：2013-07-18

  Disclosed is 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).
• US9884810B2
  申请人：——

  公开号：US9884810B2

  公开（公告）日：2018-02-06
• PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP2322504B9

  公开（公告）日：2017-09-06