t-butylthioacetamide | 21351-31-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 英文名称: t-butylthioacetamide
• 英文别名: N-(tert-butyl)ethanethioamide；N-(t-Butyl)-thioacetamid；N-tert.-Butylthioacetamid；N-tert-butylethanethioamide
• CAS: 21351-31-5
• 化学式: C₆H₁₃NS
• 分子量: 131.242
• InChiKey: PMXSNAGLYZESIF-UHFFFAOYSA-N

物化性质

• 熔点：
  84-85 °C
• 沸点：
  154.0±23.0 °C(Predicted)
• 密度：
  0.927±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  t-butylthioacetamide 生成 硫代乙酰胺
  参考文献：
  名称：

  Al-Awadi, Nouria A.; Al-Bashir, Rasha F.; El-Dusouqui, Osman M. E., Journal of the Chemical Society. Perkin transactions II, 1989, p. 579 - 582

  摘要：

  DOI：
• 作为产物：
  描述：

  N-叔丁基乙酰胺 在 tetraphosphorus decasulfide 作用下， 以25%的产率得到t-butylthioacetamide
  参考文献：
  名称：

  Al-Awadi, Nouria A.; Al-Bashir, Rasha F.; El-Dusouqui, Osman M. E., Journal of the Chemical Society. Perkin transactions II, 1989, p. 579 - 582

  摘要：

  DOI：

文献信息

• Lawesson's reagent for direct thionation of hydroxamic acids: Substituent effects on LR reactivity
  作者：Witold Przychodzeń

  DOI：10.1002/hc.20259

  日期：——

  To explore the generality and scope of direct thionation of hydroxamic acids (HAs), the reaction of various structurally diverse HAs with Lawesson's reagent was investigated. The yield of thiohydroxamic acid (THAs) is poor when HAs possess bulky acyl and/or N-substituents, acidic α-hydrogen atoms, or an N-phenyl ring. THAs yields were correlated with Brown sigma parameter. The relative rates of two

  为了探索异羟肟酸 (HA) 直接硫化的一般性和范围，研究了各种结构不同的 HA 与劳森试剂的反应。当 HA 具有庞大的酰基和/或 N-取代基、酸性 α-氢原子或 N-苯环时，硫代异羟肟酸 (THA) 的产率很低。THA 产量与 Brown sigma 参数相关。还测量了两个后续过程 k 和 k 的相对速率。还发现了 N-异丙基苯并硫代异羟肟酸的次甲基质子化学位移的相关性。© 2006 Wiley Periodicals, Inc. 杂原子化学 17:676–684, 2006; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20259
• [EN] ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF<br/>[FR] COMPOSÉS ANTHELMINTIQUES, COMPOSITIONS ET LEUR PROCÉDÉ D'UTILISATION
  申请人：MERIAL INC

  公开号：WO2016118638A1

  公开（公告）日：2016-07-28

  The present invention relates to novel anthelmintic compounds of formula (IA) below: wherein, Y is selected from the group consisting of -H, aryl, cycloalkyl, cycloalkenyl, heteroaryl, heterocyclyl, alkyl, haloalkyl, and alkoxyalkyl; and Z is selected from the group consisting of aryl, cycloalkyl, cycloalkenyl, heteroaryl, heterocyclyl, alkyl, haloalkyl, and alkoxyalkyl. Variables Ring A, Ring B, Ring C, X1, X6, and X8 are as defined herein. The invention also relates to parasiticidal compositions comprising the compounds, and methods and uses of the compounds for treating and preventing parasitic infections and infestations in animals.

  本发明涉及式(IA)的新型驱虫化合物：其中，Y选自-H、芳基、环烷基、环烯基、杂芳基、杂环基、烷基、卤代烷基和烷氧基烷基；Z选自芳基、环烷基、环烯基、杂芳基、杂环基、烷基、卤代烷基和烷氧基烷基。变量环A、环B、环C、X1、X6和X8如本文所定义。本发明还涉及包含这些化合物的杀虫组合物，以及使用这些化合物治疗和预防动物中的寄生虫感染和侵扰的方法和用途。
• Facile and Odorless One-Pot Process for the Synthesis of N-Substituted Thioamides via TsCl-Mediated Beckmann Rearrangement of Ketoximes
  作者：Wenting Du、Wei-Ping Deng、Li-Feng Liu、Na An、Hong-Jun Pi、Jun Ying

  DOI：10.1055/s-0030-1259720

  日期：2011.4

  A facile and odorless one-pot thionation process for the synthesisof N-substituted thioamides using chemically stable and inexpensivethiourea reagent via the Beckmann rearrangement of ketoximes, hasbeen described.

  已经描述了使用化学稳定且廉价的硫脲试剂通过酮肟的贝克曼重排合成 N 取代硫代酰胺的简便且无味的一锅硫化工艺。
• Inhibitors of aspartyl protease
  申请人：Hale Michael R.

  公开号：US20090042973A1

  公开（公告）日：2009-02-12

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一种新型的磺胺类化合物，它们是天冬氨酸蛋白酶抑制剂。在一种实施方式中，本发明涉及一种新型的HIV天冬氨酸蛋白酶抑制剂，其具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物非常适合抑制HIV-1和HIV-2蛋白酶活性，因此可以作为抗HIV-1和HIV-2病毒的抗病毒剂得到优越的应用。本发明还涉及使用本发明的化合物抑制HIV天冬氨酸蛋白酶活性的方法以及筛选抗HIV活性化合物的方法。
• Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain
  申请人：Cid-Nunez Jose Maria

  公开号：US20080262076A1

  公开（公告）日：2008-10-23

  This invention concerns novel substituted tetracyclic tetrahydrofuran derivatives containing a cyclic amine side chain with binding affinities towards dopamine receptors, in particular dopamine D 2 receptors, towards serotonin receptors, in particular 5-HT 2A and 5-HT 2C receptors, and pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also a pharmaceutically acceptable acid or base addition salt thereof, an N-oxide form thereof or a quaternary ammonium salt thereof, wherein all substituents are defined as in Claim 1.

  本发明涉及一种新型取代四环四氢呋喃衍生物，其含有一个环状胺侧链，具有结合多巴胺受体的亲和力，特别是多巴胺D2受体，对5-HT2A和5-HT2C受体的亲和力，以及包含根据本发明的化合物的制药组合物，其用作药物，特别是用于预防和/或治疗一系列精神和神经疾病，特别是某些精神病、心血管和胃动力紊乱，并提供其生产过程。根据本发明的化合物可以用一般式（I）表示，并包括其药学上可接受的酸或碱盐、N-氧化物形式或季铵盐，其中所有取代基在权利要求书1中定义。