5-(3-Fluorophenyl)-1-phenyl-1,3,5-triazinane-2-thione | 701277-34-1

• 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: 5-(3-Fluorophenyl)-1-phenyl-1,3,5-triazinane-2-thione
• 英文别名: 5-(3-fluorophenyl)-1-phenyl-1,3,5-triazinane-2-thione
• CAS: 701277-34-1
• 化学式: C₁₅H₁₄FN₃S
• 分子量: 287.361
• InChiKey: OXXYNGQSLZLRFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  50.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(3-Fluorophenyl)-1-phenyl-1,3,5-triazinane-2-thione 在 一水合肼 作用下， 反应 0.08h， 生成 6-(3-fluorophenyl)-8-phenyl-5,7-dihydro-2H-[1,2,4]triazolo[4,3-a][1,3,5]triazine-3-thione
  参考文献：
  名称：

  Microwave Assisted Synthesis of Fluorinated Hexahydro 1,3,5‐Triazine Derivatives in Aqueous Medium and One Pot Synthesis of 1,2,4‐Triazolo(4,3‐a)1,3,5‐triazines

  摘要：

  A multi-component condensation of substituted phenylthiourea/urea, aqueous formaldehyde and substituted aromatic/heterocyclic amines lead to 2-thioxohexahydro-1,3,5-triazines (4) in aqueous medium under microwave irradiation in 30-60 sec in quantitative yield with reasonable purity. Further, triazolo[4,3-a]triazines were also prepared by a one-pot reaction of 'in situ' synthesized triazinyl hydrazine (7) with CS2 (9).

  DOI：

  10.1081/scc-120028646
• 作为产物：
  描述：

  聚合甲醛 、 3-氟苯胺 、 苯基硫脲 以 水 为溶剂， 反应 0.02h， 以96%的产率得到5-(3-Fluorophenyl)-1-phenyl-1,3,5-triazinane-2-thione
  参考文献：
  名称：

  Microwave Assisted Synthesis of Fluorinated Hexahydro 1,3,5‐Triazine Derivatives in Aqueous Medium and One Pot Synthesis of 1,2,4‐Triazolo(4,3‐a)1,3,5‐triazines

  摘要：

  A multi-component condensation of substituted phenylthiourea/urea, aqueous formaldehyde and substituted aromatic/heterocyclic amines lead to 2-thioxohexahydro-1,3,5-triazines (4) in aqueous medium under microwave irradiation in 30-60 sec in quantitative yield with reasonable purity. Further, triazolo[4,3-a]triazines were also prepared by a one-pot reaction of 'in situ' synthesized triazinyl hydrazine (7) with CS2 (9).

  DOI：

  10.1081/scc-120028646

文献信息

• Microwave Assisted Synthesis of Fluorinated Hexahydro 1,3,5‐Triazine Derivatives in Aqueous Medium and One Pot Synthesis of 1,2,4‐Triazolo(4,3‐a)1,3,5‐triazines
  作者：Anshu Dandia、Kapil Arya、Meha Sati

  DOI：10.1081/scc-120028646

  日期：2004.12.31

  A multi-component condensation of substituted phenylthiourea/urea, aqueous formaldehyde and substituted aromatic/heterocyclic amines lead to 2-thioxohexahydro-1,3,5-triazines (4) in aqueous medium under microwave irradiation in 30-60 sec in quantitative yield with reasonable purity. Further, triazolo[4,3-a]triazines were also prepared by a one-pot reaction of 'in situ' synthesized triazinyl hydrazine (7) with CS2 (9).