2-methoxy-5-phenoxy-toluene | 859793-71-8

• 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-methoxy-5-phenoxy-toluene
• 英文别名: 2-Methoxy-5-phenoxy-toluol；2-Methyl-4-phenoxy-anisol；1-Methoxy-2-methyl-4-phenoxybenzene
• CAS: 859793-71-8
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: QGOSFLMTROAPNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methoxy-5-phenoxy-toluene 在 potassium permanganate 、 氢碘酸 、 乙酸酐 、 溶剂黄146 作用下， 生成 5-Phenoxysalicylsaeure
  参考文献：
  名称：

  Methoxy (and Hydroxy) Phenoxybenzoic Acids

  摘要：

  DOI：

  10.1021/jo50002a021
• 作为产物：
  描述：

  2-甲基-4-溴苯甲醚 、 potassium phenolate 在 铜 作用下， 生成 2-methoxy-5-phenoxy-toluene
  参考文献：
  名称：

  Methoxy (and Hydroxy) Phenoxybenzoic Acids

  摘要：

  DOI：

  10.1021/jo50002a021

文献信息

• The catalytic oxidation of 4-aryloxyphenols
  作者：W.J. Mijs、O.E. van Lohuizen、J. Bussink、L. Vollbracht

  DOI：10.1016/0040-4020(67)80061-9

  日期：1967.5

  starting 4-aryloxyphenol: a homolytic fission mechanism (two dimeric phenols yielding monomer and trimer as primary products), or an intramolecular rearrangement mechanism (two dimeric molecules giving a tetramer as a primary product). The tetramers are not formed by direct coupling of 4-aryloxyradicals, the oxygen of one radical attacking thepara position of the terminal ring of the other. Experimental

  通过对一级反应产物的分析，研究了Cu + /胺催化许多取代的4-芳氧基苯酚（二聚苯酚）氧化的机理。假定醌缩酮为中间体，可以根据起始4-芳氧基苯酚的取代方式以两种方式分解：均裂裂变机理（两种二聚酚产生单体和三聚体作为主要产物），或分子内重排机理（两种二聚体分子，以四聚体为主要产物）。四聚物没有通过4- aryloxyradicals直接耦合，一种自由基攻击的氧形成对另一方的终端环的位置。实验证据为提出的机制。
• MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：MUTO Susumu

  公开号：US20080234233A1

  公开（公告）日：2008-09-25

  A medicament for preventive and/or therapeutic treatment of neurodegenerative diseases such as Alzheimer's disease or the like which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, circle around (2)} unsubstituted thiazol-2-yl group, or circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

  这是一种用于预防和/或治疗神经退行性疾病，如阿尔茨海默病等的药物，其包括以下通式（I）所表示的化合物中所选的一种作为活性成分，以及其药学上可接受的盐、水合物和溶剂化合物：其中，A代表氢原子或乙酰基，E代表2,5-二取代或3,5-二取代苯基，或单环或融合的多环杂环芳基，可以取代，但是当所述杂环芳基为圆圈1}在公式（I）中直接结合—CONH—基团的环为苯环，圆圈2}未取代的噻唑-2-基团，或圆圈3}未取代的苯并噻唑-2-基团时，排除在外，环Z代表一个芳烃，除了由公式—O-A所表示的基团和由公式—CONH-E所表示的基团外，还可以有一个或多个取代基，其中A具有上述定义的相同含义，E具有上述定义的相同含义，或者代表一个杂芳烃，除了由公式—O-A所表示的基团和由公式—CONH-E所表示的基团外，还可以有一个或多个取代基。
• ANTIALLERGIC AGENTS
  申请人：Muto Susumu

  公开号：US20080090779A1

  公开（公告）日：2008-04-17

  A medicament for the preventive and/or therapeutic treatment of allergic diseases and/or endometriosis and/or hysteromyoma which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to 5 (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种预防和/或治疗过敏性疾病和/或子宫内膜异位症和/或子宫肌瘤的药物，其包括以下通式（I）所表示的化合物或其药学上可接受的盐、水合物和溶剂化物作为活性成分，其中X表示连接基，其主链中原子数为2至5（该连接基可以被取代），A表示氢原子或乙酰基，E表示芳基或取代的杂芳基，环Z表示苯环，除了由公式-O-A表示的基团，该苯环还可以具有一个或多个取代基团，其中A的含义与上述定义相同，而由公式-X-E表示的基团中，每个X和E的含义也与上述定义相同，或者是一个杂环，除了由公式-O-A表示的基团，该杂环还可以具有一个或多个取代基团，其中A的含义与上述定义相同，而由公式-X-E表示的基团中，每个X和E的含义也与上述定义相同。
• 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders
  申请人：Garcia-Echeverria Carlos

  公开号：US20080132504A1

  公开（公告）日：2008-06-05

  Novel pyrimidine derivatives of formula I to processes for their production, their use as pharmaceuticals and to pharmaceutical compositions comprising them

  式I的新型嘧啶衍生物及其制备方法，它们的药用价值以及包含它们的药物组合物。
• Antiallergic agents
  申请人：Muto Susumu

  公开号：US20070185059A1

  公开（公告）日：2007-08-09

  A medicament for the preventive and/or therapeutic treatment of allergic diseases and/or endometriosis and/or hysteromyoma which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substitutents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substitutents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种用于预防和/或治疗过敏性疾病和/或子宫内膜异位症和/或子宫肌瘤的药物，其活性成分包括以下通式（I）表示的化合物或其药学上可接受的盐、水合物和溶剂化物中的一种，其中X代表连接基，其主链中的原子数为2到（该连接基可以被取代），A代表氢原子或乙酰基，E代表芳基或取代的杂环芳基，环Z代表芳烃，除了由公式-O-A表示的基团外，还可以有一个或多个取代基，其中A具有上述定义的相同含义，并且由公式-X-E表示的基团，其中X和E的每个都具有上述定义的相同含义，或者可以有一个或多个取代基的杂芳烃，其中A具有上述定义的相同含义，并且由公式-X-E表示的基团，其中X和E的每个都具有上述定义的相同含义。