N,N'-hexanediyl-bis-carbamic acid di(2-phenylphenyl) ester | 1027096-26-9

• 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'-hexanediyl-bis-carbamic acid di(2-phenylphenyl) ester
• 英文别名: N,N'-hexanediyl-di(carbamic acid (2-phenylphenyl) ester)；(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate
• CAS: 1027096-26-9
• 化学式: C₃₂H₃₂N₂O₄
• 分子量: 508.617
• InChiKey: LPKISQUMSDGBFG-UHFFFAOYSA-N

物化性质

• 沸点：
  671.6±55.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 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'-hexanediyl-bis-carbamic acid di(2-phenylphenyl) ester 250.0 ℃ 、1.0 kPa 条件下， 生成 1,6-己二异氰酸酯
  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

• 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）。
• 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）。
• A PROCESS FOR PRODUCING ISOCYANATES
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP2088137B1

  公开（公告）日：2011-01-12
• US8053595B2
  申请人：——

  公开号：US8053595B2

  公开（公告）日：2011-11-08
• 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