(2,6-dimethyl-phenyl)-carbamic acid propyl ester | 73262-68-7

• 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: (2,6-dimethyl-phenyl)-carbamic acid propyl ester
• 英文别名: propyl N-2,6-dimethylphenylcarbamate；propyl N-(2,6-dimethylphenyl)carbamate
• CAS: 73262-68-7
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: BLUMZHQKLVYPPP-UHFFFAOYSA-N

物化性质

• 沸点：
  256.2±29.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  (2,6-dimethyl-phenyl)-carbamic acid propyl ester 以 环己烷 为溶剂， 生成 2,6-二甲基苯胺
  参考文献：
  名称：

  Photodegradation of some alkyl N-arylcarbamates

  摘要：

  DOI：

  10.1021/jo01299a031
• 作为产物：
  描述：

  2,6-二甲基苯胺 、 氯甲酸丙酯 以 乙腈 为溶剂， 反应 0.17h， 以to furnish 4.79 g (95% yield) of the title compound as a brown solid的产率得到(2,6-dimethyl-phenyl)-carbamic acid propyl ester
  参考文献：
  名称：

  Substituted aniline derivatives

  摘要：

  本发明涉及一般式I的苯胺衍生物或其盐，以及其用途。

  公开号：

  US07601870B2

文献信息

• Nickel‐Catalyzed Synthesis of <i>N</i> ‐(Hetero)aryl Carbamates from Cyanate Salts and Phenols Activated with Cyanuric Chloride
  作者：Iman Dindarloo Inaloo、Mohsen Esmaeilpour、Sahar Majnooni、Ali Reza Oveisi

  DOI：10.1002/cctc.202000876

  日期：2020.11.5

  one‐pot synthesis of N‐(hetero)aryl carbamates through the reaction between alcohols and in‐situ produced (hetero)aryl isocyanates in the presence of a nickel catalyst. The phenolic C−O bond was activated via the reaction of phenol with cyanuric chloride (2,4,6‐trichloro‐1,3,5‐triazine (TCT)) as an inexpensive and readily available reagent. This strategy provides practical access to N‐(hetero)aryl carbamates

  设计了一种简单有效的多米诺反应，并通过在镍催化剂存在下，醇与原位生成的（杂）芳基异氰酸酯之间的反应，单锅合成N-（杂）芳基氨基甲酸酯。通过苯酚与氰尿酰氯（2,4,6-三氯-1,3,5-三嗪（TCT））反应可以活化酚C-O键，这是一种廉价且易于获得的试剂。该策略提供了以高收率和高官能团相容性实际获得N-（杂）芳基氨基甲酸酯的方法。
• [EN] SUBSTITUTED ANILINE DERIVATIVES<br/>[FR] DERIVES D'ANILINE SUBSTITUES
  申请人：LUNDBECK & CO AS H

  公开号：WO2006029623A1

  公开（公告）日：2006-03-23

  The present invention relates to aniline derivatives of the general formula (I) or salts thereof and their use, related to their KCNQ potassium ion channel opening activity.

  本发明涉及一般式(I)的苯胺衍生物或其盐及其用途，与其KCNQ钾离子通道开放活性有关。
• SUBSTITUTED ANILINE DERIVATIVES
  申请人：Tornoe Christian Wenzel

  公开号：US20100063044A1

  公开（公告）日：2010-03-11

  The present invention relates to aniline derivatives of formula I: wherein R 1 , R 2 , R 3 , R 4 , Z and q are as defined herein; or salts thereof and their use.

  本发明涉及式I的苯胺衍生物：其中R1，R2，R3，R4，Z和q如本文所定义; 或其盐及其用途。
• Process for producing diphenylmethane dicarbamates
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0110732A2

  公开（公告）日：1984-06-13

  A process for producing a diphenylmethane dicarbamate by reacting a N-phenylcarbamate with a methylenating agent is disclosed. The process is carried out by condensing N-phenylcarbamate in two steps using a combination of two different types of acid catalysts. The catalysts exhibit a strong catalizing effect and yet can be radily separated from the reaction mixture. The process produces dineuclear diphenylmethane dicarbamates in high selectivity. The acid catalysts can be easily recovered from the reaction mixtures and put to another use.

  本发明公开了一种通过 N-苯基氨基甲酸酯与甲烯化剂反应生产二苯基甲烷二氨基甲酸酯的工艺。该工艺使用两种不同类型的酸催化剂，分两步缩合 N-苯基氨基甲酸酯。催化剂具有很强的催化作用，而且可以从反应混合物中快速分离出来。该工艺能以高选择性生产二核二苯基甲烷二氨基甲酸酯。酸催化剂可以很容易地从反应混合物中回收，并用于其他用途。
• Method for manufacture of diphenylmethane diisocyanates
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0123412A1

  公开（公告）日：1984-10-31

  Manufacture of a diphenylmethane diisocyanate for an N-phenylcarbamate is economically accomplished in high yield with high selectivity by a method which comprises (A) a process of methylenation forthe formation of a condensation product containing at least 80 mol% of a dinuclear diphenylmethane dicarbamate by the steps of 1) causing a methylenating agent to react upon at least 2 moles of an N-phenylcarbamate, based on 1 mole of the methylene group of said methylenating agent, in a liquid phase in the presence of an aqueous inorganic acid solution, 2) separating the resultant reaction mixture into the aqueous inorganic acid solution and an organic phase reaction mixture containing substantially none of said inorganic acid, and 3) subsequently treating said organic phase reaction mixture in the presence of an N-phenylcarbamate and a carboxylic acid having a pKa of not more than 4 in an aqueous solution at a temperature of25°C or a solid acid or an acid consisting of said two acids thereby converting a reaction intermediate possessing a methylene-amino bond and contained in said organic phase reaction mixture to a diphenylmethane dicarbamate, and (B) a process of thermal decomposition by the steps of allowing a mixture comprising 1 to 50% by weight of the condensation product obtained in said process of (A) and 99 to 50% by weight of a thermal decomposition solvent having a boiling point under atmospheric pressure in the range of 120 to 350%C and being inactive to isocyanates to flow down into a reactor maintained attemperatu res in the range of 180 to 380°C through the upper part thereof, causing said mixture to come into counterflow contact with a carrier introduced into said reactor upwardly via the lower part thereof thereby producing an organic hydroxyl compound, allowing said organic hydroxyl compound to be discharged from said reactor in the form of vapor in conjunction with said carrier through the upper part thereof, and withdrawing the resultant isocyanate solution from said reactor through the lower part thereof.

  用 N-苯基氨基甲酸酯制造二苯基甲烷二异氰酸酯是一种高产率和高选择性的经济 方法，该方法包括 (A) 通过以下步骤形成含有至少 80 摩尔二核二苯基甲烷二氨基甲酸酯的缩合产物的亚 甲基化过程：1) 使亚甲基化剂与至少 2 摩尔的 N-苯基氨基甲酸酯反应、1) 在无机酸水溶液存在下，使亚甲基化剂在液相中与至少 2 摩尔的 N-苯基氨基甲酸酯发生反应，以所述亚甲基化剂的 1 摩尔亚甲基为基准、2) 将生成的反应混合物分离为无机酸水溶液和基本上不含所述无机酸的有机相反应混合物、3) 随后在温度为 25°C 的水溶液中，在 N-苯基氨基甲酸酯和 pKa 不大于 4 的羧酸或固体酸或由上述两种酸组成的酸的存在下处理上述有机相反应混合物，从而将上述有机相反应混合物中含有的具有亚甲基氨基键的反应中间体转化为二苯基甲烷二氨基甲酸酯、(B) 热分解工艺，其步骤为：使包含 1 至 50%（按重量计）在所述(A)工艺中获得的缩合产物和 99 至 50%（按重量计）的热分解溶剂的混合物流下，该溶剂在大气压下的沸点在 120 至 350℃之间，对异氰酸酯不活泼，并通过其上部流入温度保持在 180 至 380℃之间的反应器中、使所述混合物与通过其下部向上进入所述反应器的载体逆流接触，从而产生有机羟基化合物，使所述有机羟基化合物与所述载体一起通过其上部以蒸汽的形式排出所述反应器，并通过其下部将由此产生的异氰酸酯溶液从所述反应器中抽出。