O-ethyl 3-hydroxy-3-phenyl-2-propenethioate | 110921-61-4

• 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: O-ethyl 3-hydroxy-3-phenyl-2-propenethioate
• 英文别名: O-ethyl (benzoyl)thioacetate；Benzoyl-essigsaeure-aethylthionester；O-ethyl (Z)-3-hydroxy-3-phenylprop-2-enethioate
• CAS: 110921-61-4
• 化学式: C₁₁H₁₂O₂S
• 分子量: 208.281
• InChiKey: NNDRQBDSBYYDAG-NTMALXAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  O-ethyl 3-hydroxy-3-phenyl-2-propenethioate 在 盐酸肼 、 montmorillonite K-10 作用下， 反应 20.0h， 以47%的产率得到3(5)-ethoxy-5(3)-phenyl-1H-pyrazole
  参考文献：
  名称：

  吡唑类的高效区域控制合成和抗菌活性

  摘要：

  一系列 1,5-二苯基-1 H-吡唑-3-胺、3-乙氧基-5-苯基-1 H-吡唑、5-乙氧基-1,3-二苯基-1 H-吡唑和 3-以蒙脱石 K-10 为固体载体，超声作用下，α-氧代烯酮 O、N-缩醛和/或 β-氧代硫代酯与肼衍生物的区域控制环化有效地制备了 ethoxy-1,5-diphenyl-1 H-pyrazole。杂环化合物的抗菌活性通过直接生物自显影试验进行评价。

  DOI：

  10.1055/s-2007-983771
• 作为产物：
  描述：

  2-溴苯乙酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 lithium perchlorate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 2.0h， 生成 O-ethyl 3-hydroxy-3-phenyl-2-propenethioate
  参考文献：
  名称：

  Picazo; Batanero; Barba, Journal of Chemical Research - Part S, 2000, # 7, p. 332 - 333

  摘要：

  DOI：

文献信息

• A New Two-Step Synthesis of α-Oxoketene<i>O,N</i>-Acetals
  作者：Jacques Moussounga、James Bouquant、Josselin Chuche

  DOI：10.1055/s-1994-25508

  日期：——

  A new synthesis of α-oxoketene O,N-acetals has been developed from β-oxothioxo esters. Thus, the reaction of 2a-c with alkyl, allyl or cyclic primary amines in refluxing toluene and formic acid led to α-oxoketene O,N-acetals 3a-i in good yields.

  从β-氧代硫代酯出发，开发了一种新型的α-氧代烯酮O,N-乙缩醛合成方法。因此，将化合物2a-c与烷基、烯丙基或环状伯胺在回流的甲苯和甲酸中反应，得到了高收率的α-氧代烯酮O,N-乙缩醛3a-i。
• Synthesis of 3-Ethoxyisoxazole Derivatives and 3-Ethoxy-1<b><i>H</i></b>-pyrazole Derivatives from<b><i>β</i></b>-Oxo Thionoesters
  作者：Tetsuo Ohta、Hironori Fujisawa、Yasuto Nakai、Isao Furukawa

  DOI：10.1246/bcsj.73.1861

  日期：2000.8

  3-Ethoxyisoxazoles and 3-ethoxy-1H-pyrazoles were obtained in high yields from β-oxo thionoesters. The reaction of the ethyl β-oxo thionoesters with hydroxylamine hydrochloride in the presence of triethylamine at room temperature for 2 h gave the ethyl 3-oxopropiohydroximates and their hemiacetals, which were easily converted to the 3-ethoxyisoxazoles by refluxing for 3 h at pH 3—5. On the other hand, the reaction of the ethyl β-oxo thionoesters with hydrazine derivatives in the presence of triethylamine for 3—8 h at room temperature directly yielded the 3-ethoxy-1H-pyrazoles.

  从β-噻吩酯中以高产率得到了3-乙氧基异噁唑和3-乙氧基-1H-吡唑。在室温下，将乙基β-噻吩酯与盐酸羟胺在三乙胺存在下反应2小时，得到乙基3-氧代丙基羟胺和它们的半缩醛，这些产物可以通过在pH 3—5下回流3小时轻松转化为3-乙氧基异噁唑。另一方面，将乙基β-噻吩酯与肼衍生物在三乙胺存在下在室温下反应3—8小时，可以直接得到3-乙氧基-1H-吡唑。
• Synthesis of α-Oxoketene<i>O</i>-Alkyl/Aryl,<i>S</i>-Alkyl Acetals
  作者：Makhan L. Purkayastha、Malapaka Chandrasekharam、Jai N. Vishwakarma、Hiriyakkanavar Ila、Hiriyakkanavar Junjappa

  DOI：10.1055/s-1993-25841

  日期：——

  The synthesis of acylketene O,S-dialkyl acetals 2a-p and acylketene O-aryl S-alkyl acetals 6a-i is described. The compounds 2a-n are obtained by base-catalyzed alkylation of the respective β-oxo thiono esters 4a-n prepared by alkoxythiocarbonylation of active methylene ketones in the presence of sodium tert-butoxide. The corresponding O-dodecanyl 2o, O-benzyl 2p and O-aryl, S-methyl 6a-i acetals are synthesized via base-catalyzed displacement of the sulfonium salts 5a-b with the corresponding alkanol or phenol.

  描述了酰基烯酮O,S-二烷基缩醛2a-p和酰基烯酮O-芳基S-烷基缩醛6a-i的合成。化合物 2a-n 是通过在叔丁醇钠存在下通过活性亚甲基酮的烷氧基硫代羰基化制备的相应β-氧代硫代酯 4a-n 的碱催化烷基化获得的。相应的O-十二烷基2o、O-苄基2p和O-芳基、S-甲基6a-i缩醛通过用相应的链烷醇或苯酚碱催化置换锍盐5a-b来合成。
• Non-toxic corrosion-protection pigments based on manganese
  申请人：——

  公开号：US20040011252A1

  公开（公告）日：2004-01-22

  Corrosion-inhibiting pigments based on manganese are described that contain a trivalent or tetravalent manganese/valence stabilizer complex. An inorganic or organic material is used to stabilize the trivalent or tetravalent manganese ion to form a compound that is sparingly soluble, exhibits low solubility, or is insoluble in water, depending upon the intended usage. Specific stabilizers are chosen to control the release rate of trivalent or tetravalent manganese during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Manganese/valence stabilizer combinations are chosen based on the well-founded principles of manganese coordination chemistry. Many manganese-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium or tetravalent lead systems. It is emphasized that this abstract is provided to comply with the rules requiring an abstract which will allow a searcher or other reader to quickly ascertain the subject matter of the technical disclosure. It is submitted with the understanding that it will not be used to interpret or limit the scope or meaning of the claims.

  以锰为基础的缓蚀颜料含有三价或四价锰/价稳定剂复合物。一种无机或有机材料可用于稳定三价或四价锰离子，从而形成一种可少量溶解、溶解度低或不溶于水的化合物，具体取决于预期用途。选择特定的稳定剂是为了控制三价锰或四价锰在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。锰/价稳定剂组合的选择是基于锰配位化学的基本原理。文中介绍了许多锰价稳定剂组合，其性能与传统的六价铬或四价铅体系相当。需要强调的是，提供本摘要是为了符合要求提供摘要的规则，以便检索者或其他读者快速确定技术公开的主题。提交本摘要的前提是，本摘要不用于解释或限制权利要求的范围或含义。
• Non-toxic corrosion-protection pigments based on rare earth elements
  申请人：——

  公开号：US20040104377A1

  公开（公告）日：2004-06-03

  A corrosion-inhibiting pigment comprising a rare earth element and a valence stabilizer combinded to form a rare earth/valence stabilizer complex. The rare earth element is selected from cerium, terbium, praseodymium, or a combination thereof, and at least one rare earth element is in the tetravalent oxidation state. An inorganic or organic material is used to stabilize the tetravalent rare earth ion to form a compound that is sparingly soluble in water. Specific stabilizers are chosen to control the release rate of tetravalent cerium, terbium, or praseodymium during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Many rare earth-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium systems.

  一种缓蚀颜料，由稀土元素和价态稳定剂结合形成稀土/价态稳定剂复合物。稀土元素选自铈、铽、镨或它们的组合，至少有一种稀土元素处于四价氧化态。使用无机或有机材料来稳定四价稀土离子，以形成稀溶于水的化合物。选择特定的稳定剂是为了控制四价铈、铽或镨在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。本文介绍了许多稀土-价稳定剂组合，其性能可与传统的六价铬体系媲美。

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