dodecanethioamide | 56352-45-5

• 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: dodecanethioamide
• 英文别名: Thio-dodecansaeure-amid；Thiolaurylamid；dodecanethioic acid amide；thiolauramide；Thiolaurinsaeure-amid；Thiolaurinamid
• CAS: 56352-45-5
• 化学式: C₁₂H₂₅NS
• mdl: MFCD16622217
• 分子量: 215.403
• InChiKey: ZFYXIWVLZSNNCG-UHFFFAOYSA-N

物化性质

• 熔点：
  82-83 °C
• 沸点：
  309.4±25.0 °C(Predicted)
• 密度：
  0.915±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  14
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  58.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  dodecanethioamide 在 三丁基氧化锡 作用下， 以 苯 为溶剂， 反应 0.5h， 以77%的产率得到十二腈
  参考文献：
  名称：

  Facile conversion of primary thioamides into nitriles with butyltin oxides

  摘要：

  DOI：

  10.1021/jo00144a043
• 作为产物：
  描述：

  十二腈 在 sodium hydrogensulfide 、 二乙胺盐酸盐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以58%的产率得到dodecanethioamide
  参考文献：
  名称：

  用硫化氢钠和二乙胺盐酸盐从腈中制备伯硫代酰胺

  摘要：

  摘要 通过用硫化氢钠和二乙胺盐酸盐在适当的溶剂中温和加热处理腈，以中等至优异的收率制备伯硫代酰胺。

  DOI：

  10.1080/00397910500377099

文献信息

• US2168847
  申请人：——

  公开号：——

  公开（公告）日：——
• Ralston; van der Wal; McCorkle, Journal of Organic Chemistry, 1939, vol. 4, p. 69
  作者：Ralston、van der Wal、McCorkle

  DOI：——

  日期：——
• Improved Synthesis of Thienothiazole and Its Utility in Developing Polymers for Photovoltaics
  作者：Rycel Uy、Liqiang Yang、Huaxing Zhou、Samuel C. Price、Wei You

  DOI：10.1021/ma201835h

  日期：2011.12.13

  In response to the structural and electronic limitations of the popular benzo[1,2-b:4,5-b']dithiophene-thieno[3,4-b]thiophene (PBnDT-TT) polymer series, this study explores the design and synthesis of a thienothiazole (TTz) moiety. The synthesis of TTz was streamlined down to four high-yielding steps, resulting in the new polymer PBnDT-TTz for organic solar cells. By incorporating TTz, a nitrogen is directly introduced into the polymer backbone which tunes the HOMO level and eliminates the reliance on external substituents. Compared to its TT analogue, PBnDT-TTz exhibits the same HOMO level of -5.06 eV and the same V-oc of 0.69 eV, yet a higher power conversion efficiency of 2.5%. These promising results demonstrate the benefits of backbone modification and the great potential of TTz in the design of new polymers for organic photovoltaics.
• Synthesis and biological evaluation of a series of fatty acid amides from Echinacea
  作者：Yasamin Moazami、Travis V. Gulledge、Scott M. Laster、Joshua G. Pierce

  DOI：10.1016/j.bmcl.2015.06.024

  日期：2015.8

  Alkylamides are lipophilic constituents of Echinacea and possess numerous biological activities. Although significant effort has been focused on the study of crude Echinacea extracts, very little is known regarding the activities of the individual constituents that make up these herbal treatments. Herein we explore the SAR of simple alkylamides found in Echinacea extracts with respect to their ability to decrease the production of the pro-inflammatory mediator TNF-alpha. Our results have revealed the key structural requirements for activity and provide lead compounds for further investigation of these poorly understood molecules. (C) 2015 Elsevier Ltd. All rights reserved.
• Clemence; Le Martret; Fournex, European Journal of Medicinal Chemistry, 1976, vol. 11, # 6, p. 567 - 570
  作者：Clemence、Le Martret、Fournex、et al.

  DOI：——

  日期：——