(rac)-4-(1-hydroxyethyl)-2-methylphenol | 62072-59-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (rac)-4-(1-hydroxyethyl)-2-methylphenol
• 英文别名: 4-(1-hydroxyethyl)-2-methylphenol；1-(4-hydroxy-3-methyl-phenyl)-ethanol；1-(4-Hydroxy-3-methyl-phenyl)-aethanol；(+/-)-2-Methyl-4-(1-hydroxy-aethyl)-phenol；(+/-)-6-Hydroxy-1-methyl-3-(1-hydroxy-aethyl)-benzol
• CAS: 62072-59-7
• 化学式: C₉H₁₂O₂
• 分子量: 152.193
• InChiKey: AVIMWAGZIFMDBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (rac)-4-(1-hydroxyethyl)-2-methylphenol 、 2,2-difluoro-1-phenyl-1-trimethylsiloxyethene 在 碘苯二乙酸 作用下， 以69%的产率得到3,3-difluoro-2-hydroxy-4,7-dimethyl-2-phenyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
  参考文献：
  名称：

  对羟基苄醇与二氟烯氧基硅烷的一锅序贯反应合成偕二氟氧杂螺环己二烯酮

  摘要：

  已经建立了对羟基苯甲醇与二氟烯氧基硅烷的一种新的有效形式 [2 + 3] 环化。这种方便的一锅顺序程序能够在温和条件下不同地构建高度官能化的偕二氟化氧杂螺环己二烯酮。与之前研究中常见的 C1 合成子不同，二氟烯氧基硅烷首次在这里充当新的 3 原子 (CCO) 合成子。反应中产生的 AcOH 和 H 2 O 是反应顺利进行的关键。

  DOI：

  10.1021/acs.orglett.2c00550
• 作为产物：
  描述：

  4-羟基-3-甲基苯乙酮 在 sodium tetrahydroborate 、 cerium(III) chloride heptahydrate 作用下， 以 甲醇 为溶剂， 反应 0.38h， 以87%的产率得到(rac)-4-(1-hydroxyethyl)-2-methylphenol
  参考文献：
  名称：

  羟基苯乙烯衍生物的不对称酶化水合

  摘要：

  一项以上的活动：由于其水合酶的活性，酚酸脱羧酶催化在羟基苯乙烯衍生物的CC双键上H 2 O的区域和立体选择性加成，生成（S）-4-（1-羟乙基）酚达到82％的转化率和71％的ee。基于结构分析和分子对接模拟，提出了这种新型酶促反应的催化机理。

  DOI：

  10.1002/anie.201207916

文献信息

• Polymers, co-polymers, and monomers using CO2 as a reagent
  申请人：Empire Technology Development LLC

  公开号：US10040777B2

  公开（公告）日：2018-08-07

  Polymers, co-polymers, and monomers using CO2 as a reagent and methods of production thereof are described. Polymerization methods include converting CO2 into a polymerizable monomer by exciting the CO2 with a light source. Such polymers and co-polymers can comprise two or more consecutive repeating units of Formula I:

  聚合物、共聚物和单体使用CO2作为试剂以及生产方法被描述。聚合方法包括通过激发CO2与光源将CO2转化为可聚合的单体。这些聚合物和共聚物可以包括两个或更多连续重复的Formula I单位。
• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20090192122A2

  公开（公告）日：2009-07-30

  A medicament having inhibitory activity against NF-κB activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-κB激活活性的药物，其包括以下通式(I)所表示的化合物或其药理学上可接受的盐作为活性成分：其中X代表连接基，A代表氢原子或乙酰基，E代表芳基或杂芳基，环X代表芳烃或杂芳烃。
• 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。
• 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。