5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine | 114751-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine
• CAS: 114751-76-7
• 化学式: C₁₃H₁₇N₃S
• 分子量: 247.364
• InChiKey: LWVUAUKYRCXIKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  404.8±38.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine 、 Ethanone, 2-bromo-1-[4-(4-propylcyclohexyl)phenyl]-, trans- 在 盐酸 作用下， 生成 2-(4-pentylphenyl)-6-[4-(4-propylcyclohexyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
  参考文献：
  名称：

  Torgova, S. I.; Abolin, A. G.; Karamysheva, L. A., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, p. 172 - 178

  摘要：

  DOI：
• 作为产物：
  描述：

  4-戊基苯甲酰氯 在 吡啶 、 硫酸 作用下， 生成 5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  Torgova, S. I.; Abolin, A. G.; Karamysheva, L. A., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, p. 172 - 178

  摘要：

  DOI：

文献信息

• Synthesis of <i>N</i>-(5-Aryl-1,3,4-Thiadiazol-2-yl)-2-(3-Oxo-1,2-Benzothiazol-2(3<i>H</i>)-yl)Acetamide Derivatives Promoted by Carbodiimide Condensation
  作者：Peng Yu、Jun Hu、Rong Wan、Xi Li、Shanlong Zheng、Yanhua Xu

  DOI：10.3184/174751914x13990224465880

  日期：2014.6

  Novel N-(5-aryl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-1,2-benzothiazol-2(3H)-yl) acetamide derivatives were prepared by 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride and N-hydroxybenzotrizole condensation catalysis in a convenient and fast method. These compounds were identified by IR, H-1 NMR and elemental analyses and the intermediate compound 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine was confirmed by single-crystal X-ray diffraction.
• Synthesis and Insecticidal Activities of Novel 1,3,4-Thiadiazole 5-Fluorouracil Acetamides Derivatives: An RNA Interference Insecticide
  作者：Rong Wan、Jian-Qiang Zhang、Fen Han、Peng Wang、Peng Yu、Qiu He

  DOI：10.1080/15257770.2011.580811

  日期：2011.4

  A series of novel 1,3,4-thiadiazole 5-fluorouracil acetamides derivatives were designed and synthesized. Their structures were confirmed by infrared, 1H NMR spectroscopy, and elemental analysis. The insecticidal activities against Tetranychus cinnabarinus and Aphis craccivora of these new compounds were evaluated. The bioassay tests showed that most of these title compounds possessed a good combination of stomach toxicity as well as contact toxicity against Tetranychus cinnabarinus and Aphis craccivora. In particular, the insecticidal activity of the title compound IVe against Aphis craccivora was better than the commercialized thiacloprid and was also comparable to another commercialized product, imidacloprid. The introduction of fluorines to meta and para-position of the benzene ring was essential for high bioactivity.
• BLACK DICHROIC DYE
  申请人：BASF SE

  公开号：EP2580289B1

  公开（公告）日：2017-11-29