S-2-(N-benzoylamino)ethyl benzothioathe | 55065-04-8

• 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: S-2-(N-benzoylamino)ethyl benzothioathe
• 英文别名: 1-benzoylamino-2-benzoylmercapto-ethane；1-Benzoylamino-2-benzoylmercapto-aethan；1-benzoylthio-2-benzoylaminoethane；N,S-Dibenzoyl-cysteamin；S-[2-(benzoylamino)ethyl] benzenecarbothioate；S-(2-benzamidoethyl) benzenecarbothioate
• CAS: 55065-04-8
• 化学式: C₁₆H₁₅NO₂S
• 分子量: 285.367
• InChiKey: NSQCRDALIJYMLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-2-(N-benzoylamino)ethyl benzothioathe 在 五氯化磷 作用下， 以 二氯甲烷 为溶剂， 以73%的产率得到2-苯基-4,5-二氢-1,3-噻唑
  参考文献：
  名称：

  噻唑啉和含噻唑烷的天然产物的合成研究— 1.五氯化磷介导的噻唑啉构建反应

  摘要：

  五氯化磷可有效​​介导N-酰基半胱胺衍生物的环化反应，产生噻唑啉环。使用这种方法，可以构建空间受阻的噻唑啉类似物，从而有效合成了micacocidin的A段（左半部分），一种独特的抗支原体抗生素。

  DOI：

  10.1016/s0040-4020(99)00582-7
• 作为产物：
  描述：

  苯甲酰氟 、 N,N'-(2,2'-disulfanediylbis(ethane-2,1-diyl))dibenzamide 在 hydridotetakis(triphenylphosphine)rhodium(I) 、 三苯基膦 、 1,2-双(二苯基膦)乙烷 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以89%的产率得到S-2-(N-benzoylamino)ethyl benzothioathe
  参考文献：
  名称：

  Rhodium-catalyzed interconversion between acid fluorides and thioesters controlled using heteroatom acceptors

  摘要：

  A rhodium complex catalyzed the equilibrium acyl transfer reaction between acid fluorides and thioesters. In the presence of fluoride or thiolate acceptors, the reaction could be shifted to either product. RhH(PPh3)(4)-dppe catalyzed the reaction of acid fluorides and diorgano disulfides in the presence of triphenylphosphine giving thioesters, which was accompanied by triphenylphosphine difluoride. The same complex catalyzed the reaction of aryl thioesters and hexafluorobenzene giving acid fluorides, which was accompanied by 1,4-di(arylthio)-2,3,5,6-tetrafluorobenzenes. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.09.009

文献信息

• Synthesis, crystal structures and catalytic activities of new palladium(II)–bis(oxazoline) complexes
  作者：Mansur B. Ibrahim、Imran Malik、S. M. Shakil Hussain、Atif Fazal、Mohammed Fettouhi、Bassam El Ali

  DOI：10.1007/s11243-016-0072-1

  日期：2016.10

  Palladium–bis(oxazoline) complexes (Pd-BOX-A and Pd-BOX-B) were synthesized and characterized by 1H, 13C NMR, IR and elemental analysis. The molecular structures of the complexes were confirmed by single-crystal X-ray analysis. In both cases, the palladium center is coordinated by the nitrogen atoms of the two oxazoline rings and two chloride ligands in a distorted square planar geometry. Despite the fact

  摘要 合成了钯-双（恶唑啉）配合物（Pd-BOX-A 和 Pd-BOX-B），并通过 1H、13C NMR、IR 和元素分析对其进行了表征。通过单晶X射线分析证实了配合物的分子结构。在这两种情况下，钯中心由两个恶唑啉环的氮原子和两个氯化物配体以扭曲的方形平面几何形状配位。尽管双 (恶唑啉) 配体是非手性的，但苯基间隔基上的不对称取代和复合 Pd-BOX-A 的刚性骨架诱导了固有的手性，并且化合物作为外消旋混合物结晶。发现这两种配合物都是 Suzuki-Miyaura、Mizoroki-Heck 和 Sonogashira 交叉偶联反应的高效催化剂。它们还对羰基化偶联反应显示出优异的催化活性。
• Indazole derivatives as JNK inhibitors and compositions and methods related thereto
  申请人：Bhagwat S. Shripad

  公开号：US20050107457A1

  公开（公告）日：2005-05-19

  Compounds having activity as selective inhibitors of JNK are disclosed. The compounds of this invention are indazole derivatives having the following structure: wherein R 1 , R 2 and A are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to JNK inhibition. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明揭示了具有选择性抑制JNK活性的化合物。本发明的化合物是具有以下结构的吲唑衍生物：其中R1、R2和A如本文所定义。这些化合物在治疗对JNK抑制有反应的广泛疾病方面具有实用性。因此，本发明还揭示了治疗这些疾病的方法，以及含有上述化合物中的一个或多个化合物的制药组合物。
• Penem derivatives and antimicrobial agent containing the same
  申请人：Ishiguro Masaji

  公开号：US20050004092A1

  公开（公告）日：2005-01-06

  A penem derivative represented by the following formula (I): wherein R 1 represents a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted aryl group, a substituted or unsubstituted alkylthio group, a substituted or unsubstituted alkenylthio group, a substituted or unsubstituted aralkylthio group, a substituted or unsubstituted arylthio group, a substituted or unsubstituted heterocyclic group, a substituted or unsubstituted heterocyclic thio group, a substituted or unsubstituted acylthio group, a mercapto group or a hydrogen atom, and R 2 represents a hydrogen atom or a carboxyl-protecting group; or a pharmacologically acceptable salt thereof. The compound (I) exhibits strong antibacterial activities, and especially, shows strong activities against MRSA. It is therefore useful not only as a general antibacterial agent but also as an antibacterial agent for MRSA against which no general antibacterial agents are recognized to be-effective.

  以下是公式（I）所代表的一种青霉烷衍生物： 其中，R1代表取代或未取代的烷基、取代或未取代的烯基、取代或未取代的芳基烷基、取代或未取代的芳基、取代或未取代的烷基硫基、取代或未取代的烯基硫基、取代或未取代的芳基烷基硫基、取代或未取代的芳基硫基、取代或未取代的杂环基、取代或未取代的杂环硫基、取代或未取代的酰基硫基、巯基或氢原子，R2代表氢原子或羧酸保护基；或其药学上可接受的盐。该化合物（I）表现出强大的抗菌活性，特别是对MRSA表现出强大的活性。因此，它不仅有用作一般抗菌剂，还有用作抗MRSA的抗菌剂，对于这种细菌，一般的抗菌剂被认为无效。
• Palladium-Catalyzed Selective Amino- and Alkoxycarbonylation of Iodoarenes with Aliphatic Aminoalcohols as Heterobifunctional O,N-Nucleophiles
  作者：László Kollár、Attila Takács、Csilla Molnár、Andrew Kovács、László T. Mika、Péter Pongrácz

  DOI：10.1021/acs.joc.2c02712

  日期：2023.4.21

  heteroaromatic substrates and numerous related nucleophiles were tested under optimized conditions, providing moderate to good yields of the target compounds. Reactions of serinol and 1,3-diamino-2-propanol as model trifunctional compounds showed particularly high chemoselectivity on amide ester products. Considering the coordinative properties of the applied nucleophiles, a rational catalytic cycle was proposed

  在脂肪族异双功能 N,O-亲核试剂存在的情况下，研究了钯催化的芳基碘化物的氨基和烷氧基羰基化反应。实现了酰胺醇和酰胺酯的选择性合成，由碱和底物的比例控制。还研究了碘苯取代基对产物选择性的影响，结果令人惊讶。除了模型乙醇胺/碘苯系统外，还在优化条件下测试了各种杂芳基底物和许多相关亲核试剂，提供了中等至良好的目标化合物收率。丝氨醇和 1,3-二氨基-2-丙醇作为模型三官能化合物的反应对酰胺酯产物显示出特别高的化学选择性。考虑到所应用的亲核试剂的配位性质，
• PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：EP0757051B1

  公开（公告）日：2003-10-29