3,5-diphenyl-1,3,4-thiadiazol-2(3H)-one | 62353-94-0

• 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: 3,5-diphenyl-1,3,4-thiadiazol-2(3H)-one
• 英文别名: 3,5-diphenyl-3H-[1,3,4]thiadiazol-2-one；3,5-Diphenyl-3H-[1,3,4]thiadiazol-2-on；3,5-Diphenyl-1,3,4-thiadiazolon-(2)；1,3,4-Thiadiazol-2(3H)-one, 3,5-diphenyl-；3,5-diphenyl-1,3,4-thiadiazol-2-one
• CAS: 62353-94-0
• 化学式: C₁₄H₁₀N₂OS
• 分子量: 254.312
• InChiKey: RPUSBMBJKITPKV-UHFFFAOYSA-N

物化性质

• 熔点：
  85-86 °C
• 沸点：
  386.0±25.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-amino-3,5-diphenyl-[1,3,4]thiadiazolium; chloride 在 溶剂黄146 、 xylene 、 sodium nitrite 作用下， 生成 3,5-diphenyl-1,3,4-thiadiazol-2(3H)-one
  参考文献：
  名称：

  Fusco; Musante, Gazzetta Chimica Italiana, 1938, vol. 68, p. 147,155

  摘要：

  DOI：

文献信息

• 1,3-Dipolar Cycloaddition of Nitrile Imine with Carbon Dioxide: Access to 1,3,4-Oxadiazole-2(3<i>H</i>)-ones
  作者：Chun-Xiao Guo、Wen-Zhen Zhang、Ning Zhang、Xiao-Bing Lu

  DOI：10.1021/acs.joc.7b00963

  日期：2017.7.21

  Efficient synthesis of 1,3,4-oxadiazole-2(3H)-one was achieved by CsF/18-crown-6 mediated 1,3-dipolar cycloaddition of nitrile imine and 2.0 MPa of CO2. CsF/18-crown-6 played a key role in enhancing the reactivity of CO2 as a 1,3-dipolarophile. The practical utility of this transition-metal-free approach to 1,3,4-oxadiazole-2(3H)-one is highlighted by the convenient synthesis of a commercial herbicide

  通过CsF / 18-crown-6介导的腈亚胺的1,3-偶极环加成和2.0 MPa的CO2，可以实现1,3,4-恶二唑-2（3H）-1的高效合成。CsF / 18-crown-6在增强CO2作为1,3-偶极亲子的反应中起着关键作用。这种无过渡金属的方法对1,3,4-恶二唑-2（3H）-one的实际应用通过方便地合成市售除草剂Oxadiazon和MAO B抑制剂得到了强调。
• Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases
  申请人：Almstead Neil

  公开号：US20080280869A1

  公开（公告）日：2008-11-13

  The present invention relates to methods, compounds, and compositions for treating or preventing diseases associated with nonsense mutations in an mRNA by administering the compounds or compositions of the present invention. More particularly, the present invention relates to methods, compounds, and compositions for suppressing premature translation termination associated with a nonsense mutation in an mRNA.

  本发明涉及通过给予本发明的化合物或组合物来治疗或预防与mRNA中无意义突变相关的疾病的方法、化合物和组合物。更具体地说，本发明涉及用于抑制与mRNA中无意义突变相关的早期翻译终止的方法、化合物和组合物。
• PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES
  申请人：PTC THERAPEUTICS, INC.

  公开号：US20150274674A1

  公开（公告）日：2015-10-01

  The present invention relates to methods, compounds, and compositions for treating or preventing diseases associated with nonsense mutations in an mRNA by administering the compounds or compositions of the present invention. More particularly, the present invention relates to methods, compounds, and compositions for suppressing premature translation termination associated with a nonsense mutation in an mRNA.

  本发明涉及使用本发明中的化合物或组合物治疗或预防与mRNA中的无义突变相关的疾病的方法、化合物和组合物。更具体地说，本发明涉及用于抑制与mRNA中的无意义突变相关的早期翻译终止的方法、化合物和组合物。
• Huisgen,R. et al., Justus Liebigs Annalen der Chemie, 1962, vol. 658, p. 169 - 180
  作者：Huisgen,R. et al.

  DOI：——

  日期：——
• Fusco; Musante, Gazzetta Chimica Italiana, 1938, vol. 68, p. 665,675, 676
  作者：Fusco、Musante

  DOI：——

  日期：——