2-phenylpropanethioamide | 1267602-28-7

• 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: 2-phenylpropanethioamide
• CAS: 1267602-28-7
• 化学式: C₉H₁₁NS
• 分子量: 165.259
• InChiKey: REDHWACTNWGCMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  2-phenylpropanethioamide 、 氯羰基亚磺酰氯 在 吡啶 作用下， 以 乙醚 为溶剂， 反应 0.03h， 以60%的产率得到(R)-5-(1-phenylethyl)-3H-1,2,4-dithiazol-3-one
  参考文献：
  名称：

  Synthesis of chiral disulfides: potential reagents for enantioselective sulfurization

  摘要：

  Synthesis of chiral phosphorothioates for use as antisense oligonucleotides might benefit from the use of chiral disulfides. This paper reports the synthesis of chiral analogs of phenylacetyl disulfide and of 5-methyl-3H-1,2,4-dithiazol-3-one from the same set of 2-arylalkanoic acids. The X-ray crystal structures of the disulfides derived from (R) and [S]-2-phenylpropanoic acid establish the stereochemistry and the helicity of these materials, and density functional theory calculations suggest that the high specific rotations can be due to preferred retention of this helicity in solution. Chiral HPLC showed that the final products were formed with enantiomeric purities from 86.1% to99.9%. [image omitted].

  DOI：

  10.1080/17415993.2011.580346

文献信息

• Medicinal compositions
  申请人：Ohkawa Shigenori

  公开号：US20050080113A1

  公开（公告）日：2005-04-14

  The present invention relates to an agent for the prophylaxis or treatment of pain, an agent for suppressing activation of osteoclast, and an inhibitor of osteoclast formation, which contains a p38 MAP kinase inhibitor and/or a TNF-α production inhibitor.

  本发明涉及一种用于预防或治疗疼痛的药剂，一种用于抑制成骨细胞活化的药剂，以及一种抑制成骨细胞形成的抑制剂，其中包含p38 MAP激酶抑制剂和/或TNF-α生产抑制剂。
• OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF
  申请人：TREGA BIOSCIENCES, INC.

  公开号：EP1126833A2

  公开（公告）日：2001-08-29
• EP1126833A4
  申请人：——

  公开号：EP1126833A4

  公开（公告）日：2004-09-08
• 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
• Method For Applying Corrosion Protection Layers Comprising Thioamides To Metallic Surfaces
  申请人：Fernandez Gonzalez Monica

  公开号：US20080131687A1

  公开（公告）日：2008-06-05

  Process for applying integrated pretreatment layers to metallic surfaces, particularly the surfaces of coil metals, by treatment with a composition comprising at least one binder, crosslinker, a finely divided inorganic filler, and compounds containing at least two thioamide groups or containing one thioamide group and at least one functional group. Integrated pretreatment layer obtainable by the process.