3-(p-tolyl)-1,2,5-thiadiazole | 72234-48-1

• 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-(p-tolyl)-1,2,5-thiadiazole
• 英文别名: 3-p-tolyl-[1,2,5]thiadiazole；3-(4-Methylphenyl)-1,2,5-thiadiazole
• CAS: 72234-48-1
• 化学式: C₉H₈N₂S
• 分子量: 176.242
• InChiKey: SPASUYQAVMDVKT-UHFFFAOYSA-N

物化性质

• 熔点：
  56-57 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  284.1±9.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-bromo-1-(p-tolyl)ethane-1-one oxime 在 吡啶 、 tetrasulphur tetranitride 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以32%的产率得到3-(p-tolyl)-1,2,5-thiadiazole
  参考文献：
  名称：

  Reactions of Monohalomethyl Aryl Ketoximes with Tetrasulfur Tetranitride: Much Improved Synthesis of 3-Aryl-1,2,5-thiadiazoles

  摘要：

  Reactions of chloromethyl aryl ketoximes (1, X = Cl) with tetrasulfur tetranitride in p-dioxane at reflux for 4 h afforded 3-aryl-1,2,5-thiadiazoles (2) in 37-92% yields, whereas those of bromo analogs under the same conditions gave 2 and 3-aryl-4-bromo-1,2,5-thiadiazoles (3) in 48-81% and 17-31% yields, respectively. However, the compounds (3) were not formed in the presence of pyridine. Alpha-nitrosostyrene and its ring-substituted derivatives (4) are proposed as intermediates for the formations of 2.

  DOI：

  10.3987/com-94-6755

文献信息

• Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function
  申请人：——

  公开号：US20040077605A1

  公开（公告）日：2004-04-22

  Fused cyclic compounds, methods of using such compounds in the treatment of nuclear hormone receptor-associated conditions such as cancer and immune disorders, and pharmaceutical compositions containing such compounds.

  融合的环化合物，使用这种化合物治疗与核激素受体相关的疾病，如癌症和免疫紊乱的方法，以及含有这种化合物的药物组合物。
• [EN] FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION<br/>[FR] COMPOSES DE SUCCINIMIDE HETEROCYCLIQUES LIES PAR FUSION ET SUBSTANCES ANALOGUES, MODULATEURS DE LA FONCTION DU RECEPTEUR HORMONAL NUCLEAIRE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003062241A1

  公开（公告）日：2003-07-31

  Fused cyclic compounds method of using such compounds in the treatment of nuclear hormone receptor-associated conditions such as cancer and immune disorders, and pharmaceutical compositions containing such compounds.

  使用融合环状化合物的方法，用于治疗与核激素受体相关的疾病，如癌症和免疫障碍，并包含这种化合物的制药组合物。
• Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function
  申请人：Salvati E. Mark

  公开号：US20050272799A1

  公开（公告）日：2005-12-08

  Fused cyclic compounds, methods of using such compounds in the treatment of nuclear hormone receptor-associated conditions such as cancer and immune disorders, and pharmaceutical compositions containing such compounds.

  融合的环状化合物，使用这些化合物治疗与核激素受体相关的疾病，如癌症和免疫疾病的方法，以及含有这些化合物的制药组合物。
• Mataka,S. et al., Journal of Heterocyclic Chemistry, 1979, vol. 16, p. 1009 - 1015
  作者：Mataka,S. et al.

  DOI：——

  日期：——
• Kim Kyongtae, Cho Jaecock, Heterocycles, 38 (1994) N 8, S 1859-1866
  作者：Kim Kyongtae, Cho Jaecock

  DOI：——

  日期：——