α(苯硫基)苯乙酸 | 10490-07-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: α(苯硫基)苯乙酸
• 中文别名: a-(苯硫基)苯乙酸
• 英文名称: 2-phenyl-2-(phenylthio)acetic acid
• 英文别名: Phenyl-phenylmercapto-essigsaeure；α-(Phenylthio)-phenylessigsaeure；2-phenyl-2-phenylsulfanylacetic acid
• CAS: 10490-07-0
• 化学式: C₁₄H₁₂O₂S
• 分子量: 244.314
• InChiKey: UOCQATUFLPHRNG-UHFFFAOYSA-N

物化性质

• 熔点：
  99-101°C
• 沸点：
  390.6±35.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  遵照规格使用和储存则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090
• WGK Germany：
  3
• 危险品运输编号：
  UN 3335

反应信息

• 作为反应物：
  描述：

  α(苯硫基)苯乙酸 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 2-phenyl-2-(phenylthio)ethanol
  参考文献：
  名称：

  Kinetic resolution of α-bromophenylacetamides using quinine or Cinchona alkaloid salts

  摘要：

  The kinetic resolution of racemic alpha-bromophenylacetamides 1 was achieved in the presence of benzenethiolate and Cinchona alkaloid salts as phase-transfer catalysts or benzenethiol and quinine, yielding (S)-enantioenriched alpha-sulfanylated products. The observed stereoselection was rationalized on the basis of the best fitting of 1 and the resolving agent in the ternary complexes. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2012.05.009
• 作为产物：
  描述：

  methyl 2-phenyl-2-(phenylsulfanyl)acetate 在 氢氧化钾 作用下， 生成 α(苯硫基)苯乙酸
  参考文献：
  名称：

  Asthana,T.C. et al., Indian Journal of Chemistry, 1970, vol. 8, p. 1086 - 1095

  摘要：

  DOI：

文献信息

• Uronium Hydrogen Sulfate/Urea-Hydrogen Peroxide as a Green and Metal-Free Catalytic System for the Efficient, Chemo-, and Homoselective Oxidation of Sulfides to Sulfoxides
  作者：Alireza Hasaninejad、Gholamabbas Chehardoli、Mohammad Ali Zolfigol、Abbas Abdoli

  DOI：10.1080/10426507.2010.494919

  日期：2011.1.31

  Abstract An efficient, chemoselective, and metal-free oxidation of sulfides is described using urea-hydrogen proxide (UHP) adduct as a stable, inexpensive, and easily handled reagent in the presence of uronium hydrogen sulfate (UHS). Both UHP and UHS release urea as an environmentally benign byproduct. The advantages of the described method are generality, chemoselectivity, short reaction time, low

  摘要描述了在硫酸氢二铵 (UHS) 存在下，使用尿素-过氧化氢 (UHP) 加合物作为稳定、廉价且易于处理的试剂，对硫化物进行高效、化学选择性和无金属氧化。UHP 和 UHS 都会释放尿素作为环境友好的副产品。所述方法的优点是通用性、化学选择性、反应时间短、成本低、原子经济性高和绿色化学协议。图形概要
• Electrochemical Decarboxylative <i>N</i>-Alkylation of Heterocycles
  作者：Tao Sheng、Hai-Jun Zhang、Ming Shang、Chi He、Julien. C. Vantourout、Phil. S. Baran

  DOI：10.1021/acs.orglett.0c02799

  日期：2020.10.2

  An operationally simple method to employ nonactivated carboxylic acids as alkylating agents in the N-alkylation of heterocycles is reported through an electrochemically driven anodic decarboxylative process. A wide substrate scope across a range of heterocycles is demonstrated along with a series of applications that significantly reduce the step count required to access such medicinally relevant structures

  通过电化学驱动的阳极脱羧过程，报道了一种操作简单的方法，即在杂环的N-烷基化中使用未活化的羧酸作为烷基化剂。展示了一系列杂环的广泛底物范围以及一系列应用，这些应用显着减少了访问此类医学相关结构所需的步数。
• Methods of treating hepatitis C virus
  申请人：Gupta K. Samir

  公开号：US20060276406A1

  公开（公告）日：2006-12-07

  Methods for preventing, ameliorating or treating one or more symptoms of Hepatitis C virus (HCV), modulating HCV protease activity and/or inhibiting cathepsin activity in a subject, wherein the methods comprise administering to a subject in need of such treatment a dosage formulation containing at least one compound of Formulae I-XXVI herein, wherein the dosage formulation is capable of maintaining an average Cmin plasma concentration of the compound at or above 10 ng/ml.

  预防、改善或治疗丙型肝炎病毒（HCV）的一个或多个症状的方法，调节受试者中的HCV蛋白酶活性和/或抑制半胱氨酸蛋白酶活性，其中所述方法包括向需要此类治疗的受试者施用含有本文中的至少一种I-XXVI式化合物的剂量配方，其中剂量配方能够维持化合物的平均Cmin血浆浓度在或高于10 ng/ml。
• Medicaments and methods combining a HCV protease inhibitor and an AKR competitor
  申请人：Ghosal Anima

  公开号：US20060276404A1

  公开（公告）日：2006-12-07

  Disclosed are medicaments, pharmaceutical compositions, pharmaceutical kits, and methods based on combinations of a hepatitis C virus (HCV) protease inhibitor and an aldo-keto reductase (AKR) competitor, for concurrent or consecutive administration in treating, preventing, or ameliorating one or more symptoms of HCV, treating disorders associated with HCV, or inhibiting cathepsin activity in a subject.

  揭示了基于丙型肝炎病毒（HCV）蛋白酶抑制剂和醛酮还原酶（AKR）竞争剂的组合的药物、药物组合物、药物套装和方法，用于同时或连续给药以治疗、预防或缓解HCV的一个或多个症状，治疗与HCV相关的疾病，或抑制受试者体内的半胱氨酸蛋白酶活性。
• Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor
  申请人：White E. Ronald

  公开号：US20070021351A1

  公开（公告）日：2007-01-25

  Compositions and therapeutic combinations are provided including at least one compound selected from the group consisting of compounds of Formulae I to XXVI as defined herein as well as methods of treatment, prevention or amelioration of one or more symptoms of hepatitis C, treating disorders associated with HCV virus, modulating activity of HCV protease, in which liver to plasma concentration ratio of the compound ranges from about 2:1 to about 10:1.

  提供了包括至少一种从本文中定义的I到XXVI式化合物组中选择的化合物的组合物和治疗组合，以及治疗、预防或改善丙型肝炎的一个或多个症状的方法，治疗与HCV病毒相关的疾病，调节HCV蛋白酶活性，其中化合物的肝脏到血浆浓度比范围约为2:1至约为10:1。