2-(2,4,6-trichlorophenyl)-4-(hydroxymethyl)-1,2,3-triazole | 89522-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2,4,6-trichlorophenyl)-4-(hydroxymethyl)-1,2,3-triazole
• 英文别名: [2-(2,4,6-Trichlorophenyl)triazol-4-yl]methanol
• CAS: 89522-54-3
• 化学式: C₉H₆Cl₃N₃O
• 分子量: 278.525
• InChiKey: BHFFEWXARXGESG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,4,6-trichlorophenyl)-4-(hydroxymethyl)-1,2,3-triazole 在 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 72.67h， 生成 4-Methylsulfanylmethyl-2-(2,4,6-trichloro-phenyl)-2H-[1,2,3]triazole
  参考文献：
  名称：

  The Synthesis and Insecticidal Activity of a Series of 2‐Aryl‐1,2,3‐triazoles

  摘要：

  Two synthetic routes to 2-aryl-1,2,3-triazoles are outlined. These have been used to synthesise a wide range of compounds of this structural type. Their insecticidal activities were evaluated against a number of veterinary and public health pests. The activity of these compounds is especially good against the housefly (Musca domestica). Structure-activity relationships are discussed particularly in relation to the physical properties of the compounds.

  DOI：

  10.1002/(sici)1096-9063(199610)48:2<189::aid-ps461>3.0.co;2-#
• 作为产物：
  描述：

  2,4,6-三氯苯肼盐酸盐 在 三聚甲醛 、 盐酸 、 sodium tetrahydroborate 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 4.75h， 生成 2-(2,4,6-trichlorophenyl)-4-(hydroxymethyl)-1,2,3-triazole
  参考文献：
  名称：

  Swartz, David L.; Karash, Angela R.; Berry, Laura A., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 1561 - 1564

  摘要：

  DOI：

文献信息

• SWARTZ, D. L.;KARASH, A. R.;BERRY, L. A.;JAEGER, D. L., J. HETEROCYCL. CHEM., 1983, 20, N 6, 1561-1564
  作者：SWARTZ, D. L.、KARASH, A. R.、BERRY, L. A.、JAEGER, D. L.

  DOI：——

  日期：——
• Swartz, David L.; Karash, Angela R.; Berry, Laura A., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 1561 - 1564
  作者：Swartz, David L.、Karash, Angela R.、Berry, Laura A.、Jaeger, David L.

  DOI：——

  日期：——
• The Synthesis and Insecticidal Activity of a Series of 2‐Aryl‐1,2,3‐triazoles
  作者：Ian K. Boddy、Geoff G. Briggs、Richard P. Harrison、Tim H. Jones、Mary J. O'Mahony、Ian D. Marlow、Brian G. Roberts、R. John Willis、Richard Bardsley、Jim Reid

  DOI：10.1002/(sici)1096-9063(199610)48:2<189::aid-ps461>3.0.co;2-#

  日期：1996.10

  Two synthetic routes to 2-aryl-1,2,3-triazoles are outlined. These have been used to synthesise a wide range of compounds of this structural type. Their insecticidal activities were evaluated against a number of veterinary and public health pests. The activity of these compounds is especially good against the housefly (Musca domestica). Structure-activity relationships are discussed particularly in relation to the physical properties of the compounds.