2-Hydroxy-1-methyl-3-pentyl-benzol | 132980-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-Hydroxy-1-methyl-3-pentyl-benzol
• 英文别名: 2-Methyl-6-pentyl-phenol；2-Methyl-6-pentylphenol
• CAS: 132980-48-4
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: UZDBICBKUHGBSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 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-Hydroxy-1-methyl-3-pentyl-benzol 、 水杨酸 在 甲苯 、 三氯氧磷 作用下， 生成 salicylic acid-(2-methyl-6-pentyl-phenyl ester)
  参考文献：
  名称：

  Homologs of Salol. The Salicylates of the Isomeric Amyl Phenols and Amyl Cresols

  摘要：

  DOI：

  10.1021/ja01271a056
• 作为产物：
  描述：

  2-<1-(1H-Benzotriazol-1-yl)pentyl>-6-methylphenol 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以62%的产率得到2-Hydroxy-1-methyl-3-pentyl-benzol
  参考文献：
  名称：

  Katritzky, Alan R.; Lan, Xiangfu; Lam, Jamshed N., Chemische Berichte, 1991, vol. 124, # 8, p. 1809 - 1817

  摘要：

  DOI：

文献信息

• Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20040242938A1

  公开（公告）日：2004-12-02

  Disclosed are a proton type &bgr; zeolite in which an acid site showing a desorption peak with a range of ±100° C. with a center of 330° C. exists in a spectrum measured by the ammonia temperature programmed desorption method (NH 3 -TPD), and an amount of a strong acid site showing a desorption peak of 500° C. or higher is controlled to 2.5 &mgr;mol/g or less, a method for preparing the same, and a process for preparing a phenol compound by oxidizing a benzene compound with a peroxide in the presence of the proton type &bgr; zeolite.

  揭示了一种质子型β沸石，其中通过氨温度程序脱附法（NH3-TPD）测量的光谱中存在一个酸位显示出一个±100°C范围内的脱附峰，中心温度为330°C，并且控制强酸位显示出500°C或更高脱附峰的量为2.5μmol/g或更低，以及制备该沸石的方法和在质子型β沸石存在的情况下，在过氧化物存在下氧化苯化合物制备苯酚化合物的方法。
• 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。
• Preparation of 4-(alpha-alkyl-alpha-cyano-methyl)-2,6-di-substituted phenols
  申请人：ETHYL CORPORATION

  公开号：EP0096640A1

  公开（公告）日：1983-12-21

  The invention deals with a process of preparation of 4-(a-alkyl-a-cyano-methyI)2,6-di-substituted phenols having the formula wherein R is hydrogen, methyl, ethyl, n-propyl or isopropyl and R, and R2 are the same or different monovalent substituent selected from the group consisting of alkyl, aralkyl and cyclic alkyl radicals. These phenols are prepared by reacting a di-substituted phenol having the formula wherein R, and R2 are as defined above with an aliphatic aldehyde having a single aldehyde radical selected from formaldehyde, acetaldehyde, propionaldehyde or butryal- dehyde and an alkali metal cyanide or an alkaline earth metal cyanide in a suitable solvent. The phenols in question are useful for preparing a-alkyl-4-hydroxyoxyphenyl-acetic acids.

  本发明涉及一种制备 4-(a-烷基-a-氰基-甲基)2,6-二取代苯酚的工艺，其式为 其中 R 是氢、甲基、乙基、正丙基或异丙基，R 和 R2 是选自烷基、芳烷基和环烷基的相同或不同的单价取代基。这些苯酚的制备方法是将具有以下式子的二取代苯酚进行反应 其中 R 和 R2 如上文所定义，具有一个选自甲醛、乙醛、丙醛或丁醛的醛基的脂族醛与碱金属氰化物或碱土金属氰化物在合适的溶剂中反应。 所述苯酚可用于制备 a-烷基-4-羟基苯乙酸。