4-hydroxyphenyl isopropyl sulfone

• 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: 4-hydroxyphenyl isopropyl sulfone
• 英文别名: 4-(Isopropylsulfonyl)phenol；4-propan-2-ylsulfonylphenol
• 化学式: C₉H₁₂O₃S
• 分子量: 200.258
• InChiKey: YPEFHWAPVJSBBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-amino-2-fluoro-5-nitrophenyl)pyrrolidine-1-carboxylic acid tert-butyl ester 、 4-hydroxyphenyl isopropyl sulfone 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成
  参考文献：
  名称：

  Discovery of novel 2-(pyridine-2-yl)-1H-benzimidazole derivatives as potent glucokinase activators

  摘要：

  The synthesis and structure-activity-relationships (SARs) of novel 2-(pyridine-2-yl)-1H-benzimidazole glucokinase activators are described. Systematic modi. cation of benzimidazole lead 5a identified from a high-throughput screening led to the discovery of a potent and metabolically stable glucokinase activator 16p(R) with greater structural diversity from GKAs reported to date. The compound also demonstrated acute oral glucose lowering efficacy in rat OGTT model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.038
• 作为产物：
  描述：

  4-isopropyl-thiophenol 在 30percent H₂O₂ 作用下， 以 溶剂黄146 为溶剂， 反应 2.0h， 以92%的产率得到4-hydroxyphenyl isopropyl sulfone
  参考文献：
  名称：

  在KOH-t-BuOH中，砜与全卤代烷烃的α-卤代反应和相关反应性存在意料之外的差异。

  摘要：

  大多数KOH-t-BuOH中的烷基苯基砜很容易通过CCl（4）进行α-氯化，并通过C阴离子（RARP）反应在COH-t-BuOH中通过CBrCl3进行α-溴化。虽然异丙基间苯二甲砜（4）容易用CCl（4）进行α-氯化，但用更具反应性的CBrCl3处理后，它可以完全回收。随后的研究表明，后者的结果是由于4的弱酸度以及CBrCl3和KOH彼此之间的反应而迅速耗竭所致，并导致了许​​多其他重要的结果。4-羟基苯基异丙基砜（6）在KOH-t-BuOH中与CCl4或CBrCl3不反应，其酚盐阴离子强烈降低了磺酰基的电负性，从而抑制了α-阴离子的形成。两个α-苯基的吸电子作用可逆转这种效应，从而使苯甲基4-羟基苯基砜（8）易于在KOH-t-BuOH中与CCl4或CBrCl3进行α-卤代。与KOH-t-BuOH进一步接触后，来自8的α-卤代砜分解为二苯甲酮和苯酚。尽管4-甲氧基苯基苯甲基砜的α-卤代衍生

  DOI：

  10.1021/jo025781w

文献信息

• Chemoselective Synthesis of Aryloxy-Substituted Phthalocyanines
  作者：Taniyuki Furuyama、Kazuya Maeda、Hajime Maeda、Masahito Segi

  DOI：10.1021/acs.joc.9b02126

  日期：2019.11.1

  The synthesis of the first examples of 8-fold α-aryloxy-substituted phthalocyanines is described. 3,6-Diiodophthalonitrile was used as a precursor for a series of 3,6-aryloxy-substituted phthalonitriles, and a lead-mediated macrocyclization was employed to afford the corresponding free-base phthalocyanine complexes. The optical, electrochemical, and aggregation properties of these complexes can be

  描述了8-倍α-芳氧基取代的酞菁的第一实例的合成。3,6-二碘邻苯二甲腈用作一系列3,6-芳氧基取代的苯二甲腈的前体，并采用铅介导的大环化反应提供相应的游离碱酞菁配合物。这些配合物的光学，电化学和聚集性质可通过改变芳氧基上的取代基或通过改变pH值来调节。
• Novel 2-Heteroaryl-Substituted Benzimidazole Derivative
  申请人：Nonoshita Katsumasa

  公开号：US20080070928A1

  公开（公告）日：2008-03-20

  A glucokinase activator is provided; and a remedy and/or a preventive for diabetes, or a remedy and/or a preventive for diabetes such as retinopathy, nephropathy, neurosis, ischemic cardiopathy, arteriosclerosis, and further a remedy and/or a preventive for obesity are provided. A glucokinase activator characterized by containing a 2-heteroaryl-substituted benzimidazole derivative of a general formula (I-0) or its pharmaceutically-acceptable salt: [in the formula, X represents a carbon atom or a nitrogen atom; X 1 , X 2 , X 3 and X 4 each independently represent a carbon atom or a nitrogen atom; the ring A represents a 5- or 6-membered nitrogen-containing aromatic hetero ring of a formula (II): (in the formula, X represents a carbon atom or a nitrogen atom); R 1 represents an aryl, etc.; R 2 represents a hydroxy, etc.; R 3 represents a —C 1-6 alkyl, etc.; R 4 represents a —C 1-6 alkyl, etc.; X 5 represents —O—, etc.; a indicates an integer of 1, 2 or 3; q indicates an integer of from 0 to 2; m indicates an integer of from 0 to 2].

  提供了一种葡萄糖激酶激活剂；提供了糖尿病的治疗和/或预防，或者提供了糖尿病的治疗和/或预防，例如视网膜病变、肾病、神经病、缺血性心脏病、动脉硬化，以及肥胖症的治疗和/或预防。葡萄糖激酶激活剂的特征在于包含通式（I-0）的2-杂环芳基取代苯并咪唑衍生物或其药学上可接受的盐：[在公式中，X表示碳原子或氮原子；X1、X2、X3和X4分别独立地表示碳原子或氮原子；环A表示公式（II）的5-或6-成员含氮芳香杂环：（在公式中，X表示碳原子或氮原子）；R1表示芳基等；R2表示羟基等；R3表示-C1-6烷基等；R4表示-C1-6烷基等；X5表示-O-等；a表示1、2或3的整数；q表示0到2的整数；m表示0到2的整数]。
• OXIME COMPOUNDS AND THE USE THEREOF
  申请人：Matsumura Akira

  公开号：US20090298878A1

  公开（公告）日：2009-12-03

  The invention relates to oxime compounds of Formula (I) and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein X is hydrogen, optionally substituted aryl, optionally substituted heteroaryl or the like; Y is CO, SO 2 , CR 3 R 4 or the like; Z is optionally substituted lower alkyl, optionally substituted aryl or the like; W is optionally substituted lower alkylene or optionally substituted lower alkenylene, R 3 and R 4 are each independently hydrogen, lower alkyl or the like; p is 0, 1, or 2 and q is 0, 1 or 2. The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及式(I)的肟化合物及其药学上可接受的盐、前药或溶剂，其中X为氢、可选取代芳基、可选取代杂环基或类似物；Y为CO、SO2、CR3R4或类似物；Z为可选取代的低烷基、可选取代的芳基或类似物；W为可选取代的低烷基或可选取代的低烯基，R3和R4各自独立地为氢、低烷基或类似物；p为0、1或2，q为0、1或2。本发明还涉及使用式(I)的化合物来治疗、预防或改善对钙通道封锁有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。
• NOVEL ACTIVATORS OF GLUCOKINASE
  申请人：Tian Feng

  公开号：US20110294758A1

  公开（公告）日：2011-12-01

  The present invention provides for novel compounds of Formulas I and II and pharmaceutically acceptable salts and co-crystals thereof which have glucokinsae activator activity. The present invention further provides for pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucokinase activator is indicated, including Type 1 and 2 diabetes, impaired glucose tolerance, insulin resistance and hyperglycemia. The present invention also provides for processes of making the compounds of Formulas I and II, including salts and co-crystals thereof, and pharmaceutical compositions comprising the same.

  本发明提供了I和II式的新型化合物，以及其药学上可接受的盐和共晶体，具有葡萄糖激酶激活剂活性。本发明还提供了包括该化合物的制药组合物，以及治疗、预防、延迟发病时间或减少一种或多种葡萄糖激酶激活剂所指示的疾病或症状发展或进展的方法，包括1型和2型糖尿病、糖耐量受损、胰岛素抵抗和高血糖。本发明还提供了制备I和II式化合物（包括其盐和共晶体）以及包括该化合物的制药组合物的方法。
• HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR
  申请人：McDonald Ian A.

  公开号：US20100298330A1

  公开（公告）日：2010-11-25

  The present invention is related to the preparation and pharmaceutical In use of novel haloallylamine derivatives as SSAO/VAP-1 inhibitors having the structure of Formula I, as defined in the specification:(I). The invention also relates to methods of using invention compounds, or pharmaceutically acceptable salt or derivatives thereof, for the treatment of a variety of indications, e.g., inflammatory diseases.

  本发明涉及一种具有I式结构的新型卤代烯丙胺衍生物的制备和药物应用，所述衍生物可作为SSAO/VAP-1抑制剂，I式结构如规范中定义。本发明还涉及使用本发明化合物或其药学上可接受的盐或衍生物的方法，用于治疗多种适应症，例如炎症性疾病。