2-(1-ethylbutyl)phenol | 91763-74-5

• 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-(1-ethylbutyl)phenol
• 英文别名: 2-(3-hexyl)phenol；2-(1-ethyl-butyl)-phenol；(+/-)-2-Hydroxy-1-(1-aethyl-butyl)-benzol；2-(1-Aethyl-butyl)-phenol；3-<2-Hydroxy-phenyl>-hexan；2-hexan-3-ylphenol
• CAS: 91763-74-5
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: UVOWWKIXBXXDMK-UHFFFAOYSA-N

物化性质

• 沸点：
  134-135 °C(Press: 13 Torr)
• 密度：
  0.9512 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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-ethylbutyl)phenol 在 Al(Hal)3 作用下， 反应 5.0h， 生成 2-(1-甲基戊基)苯酚
  参考文献：
  名称：

  （仲烷基）苯酚和环己基苯酚异构化的平衡

  摘要：

  已经在很宽的温度范围内在液相中研究了一系列烷基酚的异构化和烷基转移的平衡。对于仲丁基-、-戊基-、-己基-和环己基-苯酚以及二-（仲-丁基）苯酚，研究了与苯核上取代基置换相关的异构化平衡。对于氧苯基-戊烷、-己烷、-辛烷和-癸烷，研究了与烷基链中氧苯基的置换相关的位置异构化的平衡。研究了二和三（仲丁基）苯酚的烷基转移。为所有研究的反应找到了 ΔrHmo 和 ΔrSmo 的值。对反应的热力学量进行了分析。计算了气态异丙基苯酚 (ipp) 的形成焓。ΔmHmo(kJ·mol-1) 的值在 298.15 K 处发现：o-ipp，-(175.3±2.4)；p-ipp, -(175·3±2.4); m-ipp, -(175.3±2.4); 2,4-di-ipp, -(254.1±2.8); 2,5-di-ipp, -(254.1±2.8); 2,6-di-ipp, -(254.1±2.8); 3,5-di-ipp，-(254

  DOI：

  10.1016/0021-9614(89)90139-0
• 作为产物：
  描述：

  o-3-hexylanisole 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 生成 2-(1-ethylbutyl)phenol
  参考文献：
  名称：

  二硝基苯酚衍生物的结构和杀虫活性。第四部分 某些2-（α-支链烷基）-4,6-二硝基和4-（α-支链烷基）-2,6-二硝基苯酚的制备

  摘要：

  通过在醚中缩合2-或4-合成21个2-（α-支链烷基）酚和31个烷基（含5至13个碳原子）的4-（α-支链烷基）酚。酰基苯酚或更易溶的茴香醚与烷基溴化镁的混合物，脱水成烯基衍生物，进行氢化，并在需要时将苯甲醚脱甲基。2-和4-烷基苯酚转化为2-烷基- 4,6-二硝基和4-烷基- 2,6-二硝基酚，用于测试针对苹果的白粉病的致病剂白叉丝单囊壳（埃尔。和大麦Erysiphe graminisMérat和黄瓜Erysiphe cichoracearumMérat的Salm.。

  DOI：

  10.1039/j39670002281

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。
• ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION
  申请人：ASAHI KASEI CHEMICALS CORPORATION

  公开号：US20160016901A1

  公开（公告）日：2016-01-21

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  该发明涉及一种使用有机初级胺和硫脲作为起始原料的异硫氰酸酯生产方法；一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的羰基的当量重量比在1到100的范围内；一种用于运输和储存具有硫脲基团的化合物的组合物，包括具有硫脲基团的化合物和羟基化合物，羟基化合物的羟基与具有硫脲基团的化合物的硫脲基团的当量重量比在1到100的范围内；以及含有异硫氰酸酯和具有特定功能基团的化合物的异硫氰酸酯组合物。
• Improved fuel markers
  申请人：Inter-Euro Technology Limited

  公开号：EP2738154A1

  公开（公告）日：2014-06-04

  There is provided a compound comprising the general structure (I) in which, X is N or O; R3 is OR4 or R4; wherein when X is N, R1 is H, R5 or OR6; R2 is OC(O)R7; and R4 is R5, OR5 or aryl, which is unsubstituted or substituted with at least one of R5 or OR6, OC(O)R7, C(O)R8, OR9, C(H)(OR')2 or C(R10)(OR')2; wherein when X is O, R2 is absent; R1 is H, R5 or OR6, CH(OR8)R9; and R4 is R5, OR5 or aryl, which is unsubstituted or substituted with at least one of R5 or OR6, OC(O)R7, C(O)R8, OR9, C(H)(OR')2 or C(R10)(OR')2; wherein R5, R6, R7, R8, R9, and R10 are independently selected from linear or branched C1-C20 alkyl or OH; and R' is independently selected from linear or branched C1-C20 alkyl, or may together form a cyclic aliphatic ring having from 2 to 40 carbon atoms.

  提供一种化合物，包括通用结构（I），其中X为N或O；R3为OR4或R4；当X为N时，R1为H，R5或OR6；R2为OC（O）R7；R4为R5、OR5或芳基，该芳基未被取代或被取代至少一个R5或OR6、OC（O）R7、C（O）R8、OR9、C（H）（OR'）2或C（R10）（OR'）2；当X为O时，R2不存在；R1为H，R5或OR6，CH（OR8）R9；R4为R5、OR5或芳基，该芳基未被取代或被取代至少一个R5或OR6、OC（O）R7、C（O）R8、OR9、C（H）（OR'）2或C（R10）（OR'）2；其中R5、R6、R7、R8、R9和R10独立地选择自直链或支链的C1-C20烷基或OH；R'独立地选择自直链或支链的C1-C20烷基，或可共同形成具有2-40个碳原子的环状脂肪环。
• Highly Selective Aromatic Alkylation of Phenol and Anisole by Using Recyclable Brønsted Acidic Ionic Liquid Systems
  作者：Karin Titze-Frech、Nikolai Ignatiev、Marc Uerdingen、Peter Steffen Schulz、Peter Wasserscheid

  DOI：10.1002/ejoc.201300579

  日期：2013.10

  A highly efficient ionic liquid catalyst system for selective alkylation of phenol and anisole with alkenes is described. By using Bronsted acidic triflate ionic liquids containing the SO3H group attached to the cation, it was possible to recycle the catalyst and reuse it after a simple workup procedure. Moreover, selectivity towards the monoalkylated products was improved to 93 % by using a biphasic

  描述了一种用于苯酚和苯甲醚与烯烃选择性烷基化的高效离子液体催化剂体系。通过使用含有与阳离子相连的 SO3H 基团的布朗斯台德酸性三氟甲磺酸盐离子液体，可以回收催化剂并在简单的后处理程序后重新使用。此外，通过使用双相系统，对单烷基化产物的选择性提高到 93%。