N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid dipropyl ester | 60483-67-2

• 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-di-phenyl)-bis-carbamic acid dipropyl ester
• 英文别名: N,N'-(4,4'-Methandiyl-di-phenyl)-bis-carbamidsaeure-dipropylester；Bis-(4-propoxycarbonylamino-phenyl)-methan；4,4'-methylenebis(phenyl-carbamic acid n-propyl ester)；Propyl 4-{4-[(propoxycarbonyl)amino]benzyl}phenylcarbamate；propyl N-[4-[[4-(propoxycarbonylamino)phenyl]methyl]phenyl]carbamate
• CAS: 60483-67-2
• 化学式: C₂₁H₂₆N₂O₄
• 分子量: 370.448
• InChiKey: BHEHYAJMZZHYBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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-di-phenyl)-bis-carbamic acid dipropyl ester 在 三氯化硼 、 三乙胺 作用下， 以 苯 为溶剂， 反应 0.5h， 以88%的产率得到4,4'-二苯甲烷二异氰酸酯、2,4'-二苯甲烷二异氰酸酯和2,2'-二苯甲烷二异氰酸酯的混合物
  参考文献：
  名称：

  Synthesis of isocyanates from carbamate esters employing boron trichloride

  摘要：

  在有 Et3N 存在的情况下，使用 BCl3 可以将氨基甲酸酯转化为具有工业重要性的异氰酸酯和二异氰酸酯；该反应的实施和操作简单，在温和的条件下进行，并能以极高的产率获得异氰酸酯。

  DOI：

  10.1039/a807287f
• 作为产物：
  描述：

  丙醇 、 4,4'-二苯甲烷二异氰酸酯、2,4'-二苯甲烷二异氰酸酯和2,2'-二苯甲烷二异氰酸酯的混合物 在 三乙烯二胺 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以97%的产率得到N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid dipropyl ester
  参考文献：
  名称：

  Development of solvent-free synthesis of hydrogen-bonded supramolecular polyurethanes

  摘要：

  描述了一种无溶剂球磨法合成小分子和寡聚碳酸酯的方法，适用于超分子聚合物的合成。

  DOI：

  10.1039/c4sc03804e

文献信息

• Novel material forming supramolecular structures, process and uses
  申请人：Hayes Wayne

  公开号：US20080200718A1

  公开（公告）日：2008-08-21

  The invention relates to novel material, forming supramolecular structures below its transition temperature, which contains at least one C=O and/or C=S group and at least one N—H, O—H and/or S—H group and wherein the material has the structure A(—X—B) n (1) wherein A is a cyclic, aromatic and/or aliphatic group, n being a number of 1 to 4, —X—B is, if n is 2, the same or different, and if n is 3 or 4, the same, partly the same or different and has one of the structures (2) to (4) NH—C(Y)—Y—B   (2) —NH—C(Y)—NR—B   (3) —Y—C(Y)—NR—B   (4) with Y being an Oxygen and/or Sulfur atom, B being an organic group with at least one heteroatom, where the heteroatom is bound to at least two carbon atoms when B is linear or cyclic, and where the heteroatom is bound to at least one carbon atom when B is branched, and R being a Hydrogen atom, a cyclic, aromatic and/or aliphatic group or another B group which is the same or different. The material can be made by reacting at least one isocyanate and/or thioisocyanate with at least one amine, alcohol and/or thiol. Typically, the material is used first below its transition temperature, followed by increasing the temperature to around or above the transition temperature, carrying out a process step and subsequently decrease the temperature below the transition temperature.

  该发明涉及一种新型材料，在其转变温度以下形成超分子结构，其含有至少一个C=O和/或C=S基团，以及至少一个N—H、O—H和/或S—H基团，并且该材料具有结构A(—X—B)n(1)，其中A是一个环状、芳香性和/或脂肪族基团，n为1至4的数字，—X—B是，如果n为2，则相同或不同，如果n为3或4，则相同、部分相同或不同，并且具有结构(2)到(4)之一NH—C(Y)—Y—B、—NH—C(Y)—NR—B、—Y—C(Y)—NR—B，其中Y是氧和/或硫原子，B是具有至少一个杂原子的有机基团，当B为线性或环状时，杂原子与至少两个碳原子结合，当B为支链时，杂原子与至少一个碳原子结合，R是氢原子、环状、芳香性和/或脂肪族基团，或另一个相同或不同的B基团。该材料可通过至少一种异氰酸酯和/或硫代异氰酸酯与至少一种胺、醇和/或硫醇反应制备。通常，该材料首先在其转变温度以下使用，随后升高温度至转变温度左右或以上，进行一个工艺步骤，然后降低温度至转变温度以下。
• PROCESS FOR PRODUCING ISOCYANATES
  申请人：Shinohata Masaaki

  公开号：US20100029981A1

  公开（公告）日：2010-02-04

  An object of the present invention is to provide a process that enables isocyanates to be stably produced over a long period of time at high yield without encountering various problems as found in the prior art when producing isocyanates without using phosgene. The present invention discloses a process for producing an isocyanate, comprising the steps of: reacting a carbamic acid ester and an aromatic hydroxy compound to obtain an aryl carbamate having a group derived from the aromatic hydroxy compound; and subjecting the aryl carbamate to a decomposition reaction, wherein the aromatic hydroxy compound is an aromatic hydroxy compound which is represented by the following formula (1) and which has a substituent R 1 at least one ortho position of a hydroxyl group: (wherein ring A represents an aromatic hydrocarbon ring in a form of a single or multiple rings which may have a substitute and which have 6 to 20 carbon atoms; R 1 represents a group other than a hydrogen atom in a form of an aliphatic alkyl group having 1 to 20 carbon atoms, an aliphatic alkoxy group having 1 to 20 carbon atoms, an aryl group having 6 to 20 carbon atoms, an aryloxy group having 6 to 20 carbon atoms, an aralkyl group having 7 to 20 carbon atoms or an aralkyloxy group having 7 to 20 carbon atoms, the group containing an atom selected from a carbon atom, an oxygen atom and a nitrogen atom; and R 1 may bond with A to form a ring structure).

  本发明的目的是提供一种过程，使得在不使用光气的情况下，能够稳定地高产长时间生产异氰酸酯，而不会遇到生产异氰酸酯时在先前技术中发现的各种问题。本发明公开了一种生产异氰酸酯的方法，包括以下步骤：反应一个氨基甲酸酯和一个芳香羟基化合物以获得含有源自芳香羟基化合物的基团的芳基氨基甲酸酯；并将芳基氨基甲酸酯进行分解反应，其中芳香羟基化合物是由以下式（1）表示并且在羟基位置的至少一个邻位上具有取代基R1的芳香羟基化合物：（其中，环A表示一个具有单个或多个环，并且可能具有取代基的芳香烃环，其具有6至20个碳原子；R1表示除氢原子外的基团，以具有1至20个碳原子的脂肪基烷基团，具有1至20个碳原子的脂肪基烷氧基团，具有6至20个碳原子的芳基团，具有6至20个碳原子的芳氧基团，具有7至20个碳原子的芳基烷基团或具有7至20个碳原子的芳基烷氧基团，该基团含有从碳原子、氧原子和氮原子中选择的原子；并且R1可以与A结合形成一个环状结构）。
• ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER
  申请人：Shinohata Masaaki

  公开号：US20100113823A1

  公开（公告）日：2010-05-06

  An object of the present invention is to provide an isocyanate production process, which is free of the various problems found in the prior art, and which uses a composition containing a carbamic acid ester and an aromatic hydroxy compound when producing isocyanate without using phosgene, as well as a carbamic acid ester composition for transferring or storing carbamic acid ester. The present invention discloses an isocyanate production process including specific steps and using a composition containing a carbamic acid ester and an aromatic hydroxy compound, as well as a composition for transfer or storage of carbamic acid ester comprising the carbamic acid ester and the specific aromatic hydroxy compound.

  本发明的目的是提供一种异氰酸酯生产工艺，该工艺不使用光气，使用含有碳酸酯和芳香羟基化合物的组合物生产异氰酸酯，避免了先前技术中发现的各种问题，以及用于转移或储存碳酸酯的碳酸酯组合物。本发明揭示了一种异氰酸酯生产工艺，包括特定步骤和使用含有碳酸酯和芳香羟基化合物的组合物，以及用于转移或储存碳酸酯的组合物，包括碳酸酯和特定的芳香羟基化合物。
• Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US20150259279A1

  公开（公告）日：2015-09-17

  An object of the present invention is to provide an isocyanate production process, which is free of the various problems found in the prior art, and which uses a composition containing a carbamic acid ester and an aromatic hydroxy compound when producing isocyanate without using phosgene, as well as a carbamic acid ester composition for transferring or storing carbamic acid ester. The present invention discloses an isocyanate production process including specific steps and using a composition containing a carbamic acid ester and an aromatic hydroxy compound, as well as a composition for transfer or storage of carbamic acid ester comprising the carbamic acid ester and the specific aromatic hydroxy compound.

  本发明的目的是提供一种异氰酸酯生产工艺，该工艺不使用光气，使用含有氨基甲酸酯和芳香羟基化合物的组合物生产异氰酸酯，避免了先前技术中出现的各种问题，以及一种用于转移或储存氨基甲酸酯的氨基甲酸酯组合物。本发明揭示了一种包括特定步骤并使用含有氨基甲酸酯和芳香羟基化合物的组合物的异氰酸酯生产工艺，以及用于转移或储存氨基甲酸酯的组合物，包括氨基甲酸酯和特定的芳香羟基化合物。
• METHOD FOR PRODUCING ISOCYANATE
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP2088137A1

  公开（公告）日：2009-08-12

  An object of the present invention is to provide a process that enables isocyanates to be stably produced over a long period of time at high yield without encountering various problems as found in the prior art when producing isocyanates without using phosgene. The present invention discloses a process for producing an isocyanate, comprising the steps of: reacting a carbamic acid ester and an aromatic hydroxy compound to obtain an aryl carbamate having a group derived from the aromatic hydroxy compound; and subjecting the aryl carbamate to a decomposition reaction, wherein the aromatic hydroxy compound is an aromatic hydroxy compound which is represented by the following formula (1) and which has a substituent R1 at at least one ortho position of a hydroxyl group: (wherein ring A represents an aromatic hydrocarbon ring in a form of a single or multiple rings which may have a substitute and which have 6 to 20 carbon atoms; R1 represents a group other than a hydrogen atom in a form of an aliphatic alkyl group having 1 to 20 carbon atoms, an aliphatic alkoxy group having 1 to 20 carbon atoms, an aryl group having 6 to 20 carbon atoms, an aryloxy group having 6 to 20 carbon atoms, an aralkyl group having 7 to 20 carbon atoms or an aralkyloxy group having 7 to 20 carbon atoms, the group containing an atom selected from a carbon atom, an oxygen atom and a nitrogen atom; and R1 may bond with A to form a ring structure).

  本发明的目的是提供一种工艺，使异氰酸酯能够长期稳定地高产生产，而不会遇到现有技术中在不使用光气生产异氰酸酯时发现的各种问题。本发明公开了一种生产异氰酸酯的工艺，包括以下步骤：使氨基甲酸酯和芳香族羟基化合物反应，得到芳基氨基甲酸酯，其基团来自芳香族羟基化合物；使芳基氨基甲酸酯进行分解反应，其中芳香族羟基化合物是由下式（1）表示的芳香族羟基化合物，在羟基的至少一个正交位置上具有取代基 R1： (其中环 A 代表单环或多环形式的芳香烃环，可有取代基，具有 6 至 20 个碳原子； R1 代表氢原子以外的基团，其形式为具有 1 至 20 个碳原子的脂肪族烷基、具有 1 至 20 个碳原子的脂肪族烷氧基、具有 6 至 20 个碳原子的芳基、具有 6 至 20 个碳原子的芳氧基、具有 7 至 20 个碳原子的芳烷基或具有 7 至 20 个碳原子的芳氧基，该基团含有选自碳原子、氧原子和氮原子的原子；且 R1 可与 A 结合形成环结构）。