2-(2-chlorophenyl)-2-hydroxy-1-(4-methoxyphenyl)ethanone | 41841-04-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(2-chlorophenyl)-2-hydroxy-1-(4-methoxyphenyl)ethanone
• 英文别名: 2'-chloro-4-methoxy-benzoin；2'-Chlor-4-methoxy-benzoin；2'Chloro-4-methoxy benzoin
• CAS: 41841-04-7
• 化学式: C₁₅H₁₃ClO₃
• 分子量: 276.719
• InChiKey: DNTSCNYYTWVQKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-chlorophenyl)-2-hydroxy-1-(4-methoxyphenyl)ethanone 在 乙醇 、 五氯化磷 、 铂 、 苯 作用下， 生成 2-(2-chlorophenyl)-1-(4-methoxyphenyl)ethan-1-one
  参考文献：
  名称：

  MIXED BENZOINS. IX. MESO CHLORO DERIVATIVES

  摘要：

  DOI：

  10.1021/ja01350a032
• 作为产物：
  描述：

  4-甲氧基苯甲醛 以 乙醇 为溶剂， 生成 2-(2-chlorophenyl)-2-hydroxy-1-(4-methoxyphenyl)ethanone
  参考文献：
  名称：

  2,3-Disubstituted-2,3,5,6,7,8-hex

  摘要：

  本公开描述了某些新颖的2,3-二取代-2,3,5,6,7,8-六氢-噻唑[3,2-][1,3]二氮杂环己醇，它们可用作利尿剂。

  公开号：

  US04344954A1

文献信息

• Electrochemical Oxidation of Benzoins to Benzils in the Presence of a Catalytic Amount of KI in Basic Media
  作者：Mitsuhiro Okimoto、Yukio Takahashi、Yuji Nagata、Gaku Sasaki、Kaori Numata

  DOI：10.1055/s-2005-861809

  日期：——

  Various benzoins were transformed into the corresponding benzils via an electrochemical method. Although the strategy of oxidizing benzoins to the corresponding benzils is generally chosen depending on the nature of the aromatic moiety, the electrochemical technique reported herein allows oxidation that is widely applicable, and without the use of environmentally undesirable oxidants.

  通过电化学方法将各种安息香转化为相应的苯偶酰。尽管通常根据芳族部分的性质选择将安息香氧化成相应苯偶酰的策略，但本文报道的电化学技术允许广泛适用的氧化，并且不使用环境上不希望的氧化剂。
• A Family of Thiazolium Salt Derived N-Heterocyclic Carbenes (NHCs) for Organocatalysis: Synthesis, Investigation and Application in Cross-Benzoin Condensation
  作者：Isabel Piel、Marius D. Pawelczyk、Keiichi Hirano、Roland Fröhlich、Frank Glorius

  DOI：10.1002/ejoc.201100870

  日期：2011.10

  A family of thiazolium salt derived N-heterocyclic carbenes (NHCs) bearing sterically demanding aryl substituents on the nitrogen and with varying backbone substitution patterns have been synthesized. Investigation of the catalytic activity of these NHCs in a number of benzoin-type coupling reactions revealed markedly different levels of reactivity and selectivity. To elucidate the underlying factors

  已经合成了一系列噻唑鎓盐衍生的 N-杂环卡宾 (NHC)，在氮上具有空间要求的芳基取代基并具有不同的骨架取代模式。对这些 NHC 在许多安息香型偶联反应中的催化活性的研究表明，反应性和选择性水平明显不同。为了阐明导致反应性差异的潜在因素，对这些 NHC 催化剂的电子和空间性质进行了研究。通过使用本研究中最好的催化剂，更详细地探索了分子间交叉安息香缩合反应。
• Recent advances in P450 research
  作者：J L Raucy、S W Allen

  DOI：10.1038/sj.tpj.6500044

  日期：2001.3.1

  P450 enzymes comprise a superfamily of heme-containing proteins that catalyze oxidative metabolism of structurally diverse chemicals. Over the past few years, there has been significant progress in P450 research on many fronts and the information gained is currently being applied to both drug development and clinical practice. Recently, a major accomplishment occurred when the structure of a mammalian P450 was determined by crystallography. Results from these studies will have a major impact on understanding structure-activity relationships of P450 enzymes and promote prediction of drug interactions. In addition, new technologies have facilitated the identification of several new P450 alleles. This information will profoundly affect our understanding of the causes attributed to interindividual variations in drug responses and link these differences to efficacy or toxicity of many therapeutic agents. Finally, the recent accomplishments towards constructing P450 null animals have afforded determination of the role of these enzymes in toxicity. Moreover, advances have been made towards the construction of humanized transgenic animals and plants. Overall, the outcome of recent developments in the P450 arena will be safer and more efficient drug therapies.

  P450 酶由含血红素的蛋白质超家族组成，可催化结构不同的化学物质的氧化代谢。在过去的几年里，P450研究在许多方面都取得了重大进展，所获得的信息目前正在应用于药物开发和临床实践。最近，通过晶体学确定了哺乳动物 P450 的结构，这是一项重大成就。这些研究的结果将对理解 P450 酶的结构-活性关系并促进药物相互作用的预测产生重大影响。此外，新技术还促进了几个新的 P450 等位基因的鉴定。这些信息将深刻影响我们对药物反应个体差异原因的理解，并将这些差异与许多治疗药物的功效或毒性联系起来。最后，最近在构建 P450 无效动物方面取得的成就已经确定了这些酶在毒性中的作用。此外，人源化转基因动物和植物的构建也取得了进展。总体而言，P450 领域的最新发展成果将是更安全、更有效的药物疗法。
• Silica Supported Ferric Nitrate Nonahydrate: Selective Oxidation of Benzoins Under Mild Conditions
  作者：Aniruddha M. Paul、Amit C. Khandekar、M. A. Shenoy

  DOI：10.1081/scc-120021976

  日期：2003.1.8

  Benzils are selectively obtained in high yields by the oxidation of benzoins under mild reaction conditions using silica supported ferric nitrate nonahydrate.
• MIXED BENZOINS. III. THE STRUCTURE OF SOME UNSYMMETRICALLY SUBSTITUTED DESOXYBENZOINS
  作者：Johannes S. Buck、Walter S. Ide

  DOI：10.1021/ja01355a055

  日期：1931.4