2,4-toluenedioctylcarbamate | 76977-72-5

• 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: 2,4-toluenedioctylcarbamate
• 英文别名: 2,4-TDCOc；N,N'-(4-methyl-m-phenylene)-bis-carbamic acid dioctyl ester；N,N'-(4-Methyl-m-phenylen)-bis-carbamidsaeure-dioctylester；2,4-bis(octyloxy carbonylamino)toluene；2,4-bis(octyloxycarbonylamino)toluene；2,4-bis(octoxycarbonylamino)toluene；octyl N-[2-methyl-5-(octoxycarbonylamino)phenyl]carbamate
• CAS: 76977-72-5
• 化学式: C₂₅H₄₂N₂O₄
• 分子量: 434.619
• InChiKey: KMFRSAWZPOYBNT-UHFFFAOYSA-N

物化性质

• 熔点：
  69-70 °C
• 沸点：
  481.4±45.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  31
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 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：

  氨基甲酸辛酯 、 2,4-二氨基甲苯 在 zinc trifluoromethanesulfonate 辛醇 作用下， 反应 2.0h， 以79%的产率得到2,4-toluenedioctylcarbamate
  参考文献：
  名称：

  URETHANE COMPOUND AND PROCESS FOR PRODUCTION THEREOF, AND ISOCYANATE AND PROCESS FOR PRODUCTION THEREOF

  摘要：

  公开号：

  EP2412703B1

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。
• METHOD FOR PRODUCING TOLUENEDICARBAMATE, METHOD FOR PRODUCING TOLUENEDIISOCYANATE, AND TOLUENEDICARBAMATE
  申请人：Murayama Koichi

  公开号：US20130109881A1

  公开（公告）日：2013-05-02

  A method for producing toluenedicarbamate includes a carbamate production process of producing toluenedicarbamate by reaction between toluenediamine, urea, and/or N-unsubstituted carbamic acid ester, and alcohol; and a benzoyleneurea reduction process of reducing a disubstituted benzoyleneurea and a derivative thereof to 10 mol or less relative to 100 mol of toluenedicarbamate, wherein the disubstituted benzoyleneurea is represented by formula (1) below and has a methyl group and an amino group:

  一种生产甲苯二甲酰脲的方法包括以下步骤：通过对甲苯二胺、尿素和/或N-未取代的氨基甲酸酯以及醇进行反应的脲酸酯生产过程来生产甲苯二甲酰脲；以及通过还原二取代苯甲酰脲及其衍生物至相对于100摩尔的甲苯二甲酰脲不超过10摩尔的苯甲酰脲还原过程，其中二取代苯甲酰脲由下式（1）表示，并具有一个甲基基团和一个氨基基团：
• URETHANE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ISOCYANATE AND METHOD FOR PRODUCING THE SAME
  申请人：Hamada Tetsuya

  公开号：US20120010427A1

  公开（公告）日：2012-01-12

  A method for producing urethane compounds includes allowing a primary amine, a urea and/or an N-unsubstituted carbamate, and an alcohol to react in the presence of a compound containing a noncoordinating anion and a metal atom as a catalyst.

  一种生产脲化合物的方法，包括在非配位阴离子和金属原子作为催化剂的存在下，使初级胺、脲和/或N-未取代的氨基甲酸酯以及醇反应。
• Process for the preparation of an aryl mono-, di-, and/or polyurethane
  申请人：BASF Aktiengesellschaft

  公开号：US04278805A1

  公开（公告）日：1981-07-14

  A process for the preparation of an aryl-mono and/or polyurethane comprising the steps of A. reacting a primary aromatic mono, di-, and/or polyamine with an O-alkyl carbamate in the presence of alcohol and catalysts, and B. separating the ammonia and other by-products from the aliphatic and/or cycloaliphatic di- and/or polyurethane. The reaction is preferably carried out in the presence of urea. The aryl mono-, di-, and/or polyurethanes produced are valuable end and intermediate products. They can be transferred into the corresponding isocyanates which can then be used for the preparation of polyurethanes.

  一种制备芳基单元和/或聚氨酯的方法，包括以下步骤：A. 在醇和催化剂的存在下，将一种原始的芳香族单元、二元组和/或多元组胺与O-烷基氨基甲酸酯反应，B. 将氨和其他副产物与脂肪族和/或环状脂肪族二元和/或多元聚氨酯分离。最好在尿素的存在下进行反应。制得的芳基单元、二元组和/或多元组聚氨酯是有价值的终端和中间产品。它们可以转化为相应的异氰酸酯，然后用于制备聚氨酯。
• 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）。