3,5-bis(4-benzyloxyphenyl)[1,2,4]thiadiazole | 1236827-20-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,5-bis(4-benzyloxyphenyl)[1,2,4]thiadiazole
• 英文别名: 3,5-Bis(4-phenylmethoxyphenyl)-1,2,4-thiadiazole
• CAS: 1236827-20-5
• 化学式: C₂₈H₂₂N₂O₂S
• 分子量: 450.561
• InChiKey: NBLCUQDZXUUWOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  72.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-苯甲氧基苯甲腈 在 ammonium sulfide 、 三聚氯氰 、 二甲基亚砜 作用下， 反应 0.08h， 生成 3,5-bis(4-benzyloxyphenyl)[1,2,4]thiadiazole
  参考文献：
  名称：

  A novel process for the synthesis of 3,5-diaryl-1,2,4-thiadiazoles from aryl nitriles

  摘要：

  A novel and efficient process for the synthesis of 3,5-diaryl-1,2,4-thiadiazoles from aryl nitriles in 1-butyl-3-methylimidazolium bromide promoted by (NR4)(2)S and TCT-DMSO is described. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.020

文献信息

• TCT-DMSO/[bmim]BF4: A novel promoter system for the synthesis of 3,5-diaryl-1,2,4-thiadiazoles at ambient temperature
  作者：Ahmad R. Khosropour、Jalil Noei

  DOI：10.1002/jhet.261

  日期：2011.1

  efficient and practical procedure for direct synthesis of 3,5‐diaryl‐1,2,4‐thiadiazoles by thioamides with 2,4,6‐trichloro‐1,3,5‐triazine (TCT) and dimethylsulfoxide using 1‐butyl‐3‐methylimidazolium tetrafluoroborate as an eco‐friendly reaction medium under ambient temperature is described. This protocol can be considered as a new procedure for 3,5‐diaryl‐1,2,4‐thiadiazoles synthesis. J. Heterocyclic Chem

  一种高效实用的程序，可使用1-丁基-硫代酰胺与2,4,6-三氯-1,3,5-三嗪（TCT）和二甲亚砜通过硫酰胺直接合成3,5-二芳基-1,2,4-噻二唑描述了在环境温度下作为环境友好反应介质的3-甲基咪唑鎓四氟硼酸盐。该方案可以看作是合成3,5-二芳基-1,2,4-噻二唑的新方法。J.杂环化​​学。（2010）。
• A convenient strategy for the synthesis of 3,5-diaryl-1,2,4-thiadiazoles: oxidative dimerization of arylthioamides using CC–DMSO in PEG-400
  作者：Ahmad Reza Khosropour、Jalil Noei

  DOI：10.1007/s00706-010-0295-3

  日期：2010.6

  An inexpensive and effective preparative protocol for the highly efficient synthesis of structurally diverse 3,5-diaryl-1,2,4-thiadiazoles at ambient temperature with 2,4,6-trichloro-1,3,5-triazine (CC) and DMSO in polyethylene glycol 400 (PEG-400) as solvent is described.