2-hexyl-4-methylphenol | 54612-53-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-hexyl-4-methylphenol
• 英文别名: 4-Methyl(hexyl)phenol
• CAS: 54612-53-2
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: VRTAOZNHKCUURQ-UHFFFAOYSA-N

物化性质

• 沸点：
  288.3°C (rough estimate)
• 密度：
  0.9275 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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-hexyl-4-methylphenol 生成 2-chloro-6-hexyl-4-methyl-phenol
  参考文献：
  名称：

  The Preparation and Properties of Three Isomeric n-Hexyl Cresols and their Chlorinated Derivatives

  摘要：

  DOI：

  10.1021/ja01856a079
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 2-hexyl-4-methylphenol
  参考文献：
  名称：

  The Preparation and Properties of Three Isomeric n-Hexyl Cresols and their Chlorinated Derivatives

  摘要：

  DOI：

  10.1021/ja01856a079

文献信息

• Dearomatization‐Rearomatization Strategy for <i>ortho</i> ‐Selective Alkylation of Phenols with Primary Alcohols
  作者：Jianjin Yu、Chao‐Jun Li、Huiying Zeng

  DOI：10.1002/anie.202010845

  日期：2021.2.19

  the synthesis of site‐specifically substituted phenols is challenging, and thus the development of new methods for this purpose would be highly desirable. Reported here is a protocol for palladium‐catalyzed ortho‐selective alkylation reactions of phenols with primary alcohols by a dearomatization‐rearomatization strategy, with water as the sole by‐product. Various substituted phenols and primary alcohols

  苯酚是从药物到聚合物的各种工业化学品的常见前体和核心结构。但是，定点取代的苯酚的合成具有挑战性，因此非常需要为此目的开发新方法。此处报道的是通过脱芳香化-再芳香化策略，以水为唯一副产物，进行苯酚与伯醇的钯催化邻位选择性烷基化反应的方案。各种取代的苯酚和伯醇均符合标准反应条件。还研究了这种转化的详细机制。
• Palladium-catalyzed aerobic synthesis of <i>ortho</i>-substituted phenols from cyclohexanones and primary alcohols
  作者：Huiying Zeng、Jianjin Yu、Chao-Jun Li

  DOI：10.1039/c9cc09347h

  日期：——

  precursors of chemical products, synthesis of site-specific substituted phenols is highly desirable and a significant challenge. An aerobic palladium-catalyzed site-specific synthesis of ortho-substituted phenols from cyclohexanones and primary alcohols via an oxidation/aldol/dehydration/aromatization process has been developed. Various substituted cyclohexanones and primary alcohols are successfully transformed

  由于酚作为化学产品的结构核心和前体的重要性，因此非常需要合成位点特定的取代酚，这是一个重大挑战。已经开发了一种好氧钯催化的环己酮和伯醇经氧化/羟醛/脱水/芳构化过程的邻位取代苯酚的位点特异性合成。各种取代的环己酮和伯醇已成功转化为邻位取代的酚。另外，该催化反应使用空气作为末端氧化剂并产生水作为唯一的副产物。此外，该方法还可以扩展到伯醇和仲醇之间具有高化学选择性的多羟基取代的底物。
• 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）。
• 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。
• 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：Asahi Kasei Chemicals Corporation

  公开号：US20150259279A1

  公开（公告）日：2015-09-17

  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，使用含有氨基甲酸酯和芳香羟基化合物的组合物生产异氰酸酯，避免了先前技术中出现的各种问题，以及一种用于转移或储存氨基甲酸酯的氨基甲酸酯组合物。本发明揭示了一种包括特定步骤并使用含有氨基甲酸酯和芳香羟基化合物的组合物的异氰酸酯生产工艺，以及用于转移或储存氨基甲酸酯的组合物，包括氨基甲酸酯和特定的芳香羟基化合物。