2-(1-甲基壬基)苯酚 | 4338-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-(1-甲基壬基)苯酚
• 英文名称: o-1-methylnonylphenol
• 英文别名: 2-(1-Methyl-nonyl)-phenol；2-(1-Methylnonyl)-phenol；o-sec-Decylphenol；2-(1-Methylnonyl)phenol；2-decan-2-ylphenol
• CAS: 4338-64-1；93891-77-1
• 化学式: C₁₆H₂₆O
• 分子量: 234.382
• InChiKey: YYUUSAFRJJBDDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(1-甲基壬基)苯酚 以42%的产率得到
  参考文献：
  名称：

  TANCHUK, YU. V.;KOTENKO, S. I., YKP. XIM. ZH., 54,(1988) N 1, 81-85

  摘要：

  DOI：
• 作为产物：
  描述：

  正癸烯 、 苯酚 在 aluminium(III) phenoxide 作用下， 生成 2-(1-甲基壬基)苯酚
  参考文献：
  名称：

  The ortho-Alkylation of Phenols¹

  摘要：

  DOI：

  10.1021/jo01357a014

文献信息

• ISOCYANATE PRODUCTION PROCESS
  申请人：Shinohata Masaaki

  公开号：US20110092731A1

  公开（公告）日：2011-04-21

  An object of the present invention is to provide a process that enables isocyanate to be produced stably over a long period of time and at high yield without encountering problems of the prior art during production of isocyanate without using phosgene. The present invention discloses a process for producing an isocyanate by subjecting a carbamic acid ester to a thermal decomposition reaction, including the steps of: recovering a low boiling point component in a form of a gaseous phase component from a thermal decomposition reaction vessel in which the thermal decomposition reaction is carried out; recovering a liquid phase component containing a carbamic acid ester from a bottom of the thermal decomposition reaction vessel; and supplying all or a portion of the liquid phase component to an upper portion of the thermal decomposition reaction vessel.

  本发明的一个目的是提供一种能够在长时间内稳定地高产且不使用光气的情况下生产异氰酸酯的方法，而不会遇到先前生产异氰酸酯时的问题。本发明公开了一种通过将氨基甲酸酯经受热分解反应来生产异氰酸酯的方法，包括以下步骤：从进行热分解反应的反应釜中回收形成气相组分的低沸点组分；从热分解反应釜底部回收含有氨基甲酸酯的液相组分；并将全部或部分液相组分供给至热分解反应釜的上部。
• PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE
  申请人：Shinohata Masaaki

  公开号：US20110054211A1

  公开（公告）日：2011-03-03

  An object of the present invention is to provide a process that enables isocyanate to be produced stably over a long period of time and at high yield without encountering problems of the prior art during production of isocyanate without using phosgene. The present invention provides an isocyanate production process including the steps of: obtaining a reaction mixture containing an aryl carbamate having an aryl group originating in a diaryl carbonate, an aromatic hydroxy compound originating in a diaryl carbonate, and a diaryl carbonate, by reacting a diaryl carbonate and an amine compound in the presence of a reaction solvent in the form of an aromatic hydroxy compound; transferring the reaction mixture to a thermal decomposition reaction vessel; and obtaining isocyanate by applying the aryl carbamate to a thermal decomposition reaction, wherein the reaction vessel in which the reaction between the diaryl carbonate and the amine compound is carried out and the thermal decomposition reaction vessel for the aryl carbamate are different.

  本发明的一个目的是提供一种能够在生产异氰酸酯时在长时间内稳定地且高产率地生产异氰酸酯的方法，而不使用光气时遇到先前技术问题的方法。本发明提供了一种异氰酸酯生产方法，包括以下步骤：通过在反应溶剂形式的芳香羟基化合物存在下，通过反应二芳基碳酸酯和胺化合物得到含有源自二芳基碳酸酯的芳基碳酸酯、源自二芳基碳酸酯的芳香羟基化合物和二芳基碳酸酯的反应混合物；将反应混合物转移至热分解反应容器；通过将芳基碳酸酯应用于热分解反应来获得异氰酸酯，其中进行二芳基碳酸酯和胺化合物之间的反应的反应容器和用于芳基碳酸酯的热分解反应的反应容器是不同的。
• Alkylation of Phenol by 1-Dodecene and 1-Decanol. A Literature Correction
  作者：Curt B. Campbell、Anatoli Onopchenko、Donald S. Santilli

  DOI：10.1246/bcsj.63.3665

  日期：1990.12

  literature report that 1-dodecene reacts with phenol in the presence of sulfated zirconium oxide (superacid), or 1-dodecanol with phenol in the precsence of H-Mordenite (zeolite), to afford mostly para-substituted alkylphenols has been shown to be incorrect. The product with zirconium is a mixture of ortho/para isomers (≈50–65/50–35), and not the exclusive para isomer as reported. The major product in the

  最近的一篇文献报道称，在硫酸化氧化锆（超强酸）存在下，1-十二烯与苯酚反应，或在 H-丝光沸石（沸石）存在下，1-十二烷醇与苯酚反应，主要提供对位取代的烷基苯酚。不正确。含锆的产品是邻位/对位异构体 (≈50–65/50–35) 的混合物，而不是报道的唯一对位异构体。在沸石催化的情况下，主要产物是邻烷基苯酚，具有高度的末端连接，而不是主要要求保护的对位异构体。在苯酚烷基化过程中用 H-丝光沸石获得的选择性不同于烷基苯和苯甲醚的烷基化，最好根据表面催化现象进行解释。
• 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。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Shinohata Masaaki

  公开号：US20110133121A1

  公开（公告）日：2011-06-09

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明涉及一种从有机胺、碳酸衍生物和含有一种或多种羟基化合物中制得的N-取代氨基甲酸酯的制备方法，其中使用一种含有冷凝器的脲类生产反应容器反应有机胺、碳酸衍生物和羟基化合物，将含有羟基化合物的气体、来自碳酸衍生物衍生的含有羰基基团的化合物、以及在反应中形成的氨气体引入到脲类生产反应容器中的冷凝器中，使羟基化合物和含有羰基基团的化合物冷凝，其中在冷凝的羟基化合物中所含有的羟基化合物与冷凝的含有羰基基团的化合物中所含有的羰基基团的化合物的比例为1或更多，而且在从冷凝器中回收的氨气体中所含有的羰基基团（—C(═O)—）数与氨分子数的比例为1或更少。