3-(4-Chlorophenyl)-6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine | 150093-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-Chlorophenyl)-6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
• CAS: 150093-66-6
• 化学式: C₁₃H₁₁ClN₄S
• 分子量: 290.776
• InChiKey: SVQXUPKSJXZZJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  68.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氨基-3-(4-氯苯基)-5-疏基-4H-1,2,4-噻唑 、 乙酰丙酮 在 Preyssler acid 作用下， 反应 1.5h， 以87%的产率得到3-(4-Chlorophenyl)-6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
  参考文献：
  名称：

  H₁₄[NaP₅W₃₀O₁₁₀] as a Heterogeneous Recyclable Catalyst for the Synthesis of 6,8-Dimethyl-3-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiazepine Derivatives

  摘要：

  6,8-Dimethyl-3-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiazepine derivatives were synthesized by cyclodehydration of 3-aryl-4-amino-5-mercapto-1,2,4-triazole with 2,4-pentanedione in the presence of a catalytic amount of Preyssler catalyst under very mild conditions.

  DOI：

  10.1080/00397910903161785

文献信息

• H₁₄[NaP₅W₃₀O₁₁₀] as a Heterogeneous Recyclable Catalyst for the Synthesis of 6,8-Dimethyl-3-aryl-[1,2,4]triazolo[3,4-<i>b</i>][1,3,4]thiazepine Derivatives
  作者：Rahim Hekmatshoar、Sodeh Sadjadi、Samaheh Sadjadi、Majid M. Heravi、Fatemeh F. Bamoharram

  DOI：10.1080/00397910903161785

  日期：2010.5.19

  6,8-Dimethyl-3-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiazepine derivatives were synthesized by cyclodehydration of 3-aryl-4-amino-5-mercapto-1,2,4-triazole with 2,4-pentanedione in the presence of a catalytic amount of Preyssler catalyst under very mild conditions.