2-(phenylthio)propanamide | 96405-48-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(phenylthio)propanamide
• 英文别名: (+/-)-2-phenylsulfanyl-propionic acid amide；(+/-)-2-Phenylmercapto-propionsaeure-amid；2-(Phenylsulfanyl)propanamide；2-phenylsulfanylpropanamide
• CAS: 96405-48-0
• 化学式: C₉H₁₁NOS
• 分子量: 181.258
• InChiKey: YLSHHCDRMUPJNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(phenylthio)propanamide 在 N-氯代丁二酰亚胺 、 吗啉 、 盐酸 作用下， 以 甲苯 、 水 、 丙酮 为溶剂， 反应 2.34h， 以81%的产率得到3-hydroxy-2-(phenylsulfanyl)propenamide
  参考文献：
  名称：

  Selective β-oxidation of α-sulfanyl amides

  摘要：

  A selective beta-oxidation of a series of alpha-sulfanyl amides to the corresponding beta-oxo-alpha-sulfanyl amides is described. This selective efficient oxidation of an unfunctionalised methyl or methylene group occurs under mild conditions, involving three sequential transformations conducted without isolation of the intermediates. Critically neither the sulfur nor the reactive alpha-CH bond is affected in the overall process. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.05.041
• 作为产物：
  描述：

  2-phenylsulfanyl-propionic acid 在 氯化亚砜 作用下， 生成 2-(phenylthio)propanamide
  参考文献：
  名称：

  Ramberg; Hedlund, Arkiv foer Kemi, 1937, vol. 12 A, # 12, p. 4,6

  摘要：

  DOI：

文献信息

• Investigation of the synthetic and mechanistic aspects of the highly stereoselective transformation of α-thioamides to α-thio-β-chloroacrylamides
  作者：Maureen Murphy、Denis Lynch、Marcel Schaeffer、Marie Kissane、Jay Chopra、Elisabeth O'Brien、Alan Ford、George Ferguson、Anita R. Maguire

  DOI：10.1039/b618540a

  日期：——

  Treatment of a series of alpha-thioamides with N-chlorosuccinimide results in efficient transformation to the analogous alpha-thio-beta-chloroacrylamides. The mechanistic pathway has been established through isolation and characterisation of intermediate compounds. The scope of the transformation has been explored-aryl and alkylthio substituents, primary, secondary and tertiary amides can be employed

  用N-氯代琥珀酰亚胺处理一系列的α-硫代酰胺可有效地转化为类似的α-硫代-β-氯丙烯酰胺。通过分离和表征中间化合物已经建立了机理途径。已经探讨了转化的范围-芳基和烷硫基取代基，可以使用伯，仲和叔酰胺。在大多数情况下，氯丙烯酰胺仅作为Z-立体异构体形成。但是，用叔丙酰胺或衍生自丁酸或戊酸的酰胺会形成E-和Z-立体异构体的混合物。
• [EN] 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS<br/>[FR] INHIBITEURS DE GLUCOSYLCÉRAMIDE SYNTHASE DE TYPE 2-ACYLAMINOPROPOANOL
  申请人：GENZYME CORP

  公开号：WO2010039256A1

  公开（公告）日：2010-04-08

  A compound for use in treating polycystic kidney disease is represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating polycystic kidney disease in a subject in need thereof comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. Methods of treating in polycystic kidney disease in a subject in need thereof respectively comprise administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  用于治疗多囊肾病的化合物由结构式（I）表示：或其药学上可接受的盐。一种药物组合物包括由结构式（I）表示的化合物或其药学上可接受的盐。治疗需要的受试者多囊肾病的方法包括向受试者施用由结构式（I）表示的化合物或其药学上可接受的盐的治疗有效量。治疗需要的受试者多囊肾病的方法分别包括向受试者施用由结构式（I）表示的化合物或其药学上可接受的盐的治疗有效量。
• IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2183215A2

  公开（公告）日：2010-05-12
• 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS
  申请人：Genzyme Corporation

  公开号：EP2349255A1

  公开（公告）日：2011-08-03
• [EN] IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL<br/>[FR] COMPOSÉ IMIDATE ET SON UTILISATION DANS LA LUTTE CONTRE LES NUISIBLES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009014267A2

  公开（公告）日：2009-01-29

  There is provided a compound having an excellent controlling effect on arthropod pests represented by the formula (I-1): wherein Z represents an optionally substituted carbocyclic group or an optionally substituted heterocyclic group; G represents a -A1-R1 group, etc.; X represents a -A2-R4 group, etc.; X0 represents a -A3-R6 group, etc.; or X and X0 are optionally taken together to form a -A2-T0-A3- group; M1 represents a -R8 group, etc.; A1, A2 and A3 independently represent an oxygen atom, etc.; R1 and R8 independently represents an optionally substituted C1-C20 chain hydrocarbon group, etc.; R4 and R6 independently represent an optionally substituted C1-C6 chain hydrocarbon group, etc.; and T0 represents an optionally substituted C2-C6 alkanediyl group.