4-(4-methylsulfonylphenyl)-5-phenyl-[1,2,3]-thiadiazole | 198126-67-9

• 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: 4-(4-methylsulfonylphenyl)-5-phenyl-[1,2,3]-thiadiazole
• 英文别名: 5-phenyl-4-(4-(methylsulfonyl)phenyl)-1,2,3-thiadiazole；1,2,3-Thiadiazole, 4-[4-(methylsulfonyl)phenyl]-5-phenyl-；4-(4-methylsulfonylphenyl)-5-phenylthiadiazole
• CAS: 198126-67-9
• 化学式: C₁₅H₁₂N₂O₂S₂
• 分子量: 316.404
• InChiKey: FRPIPAXWTLBONJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  96.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-phenyl-4'-(methylthio)acetophenone 在 Oxone 、 氯化亚砜 、 对甲苯磺酸 作用下， 以 水 、 丙酮 、 甲苯 为溶剂， 反应 28.0h， 生成 4-(4-methylsulfonylphenyl)-5-phenyl-[1,2,3]-thiadiazole
  参考文献：
  名称：

  A high speed parallel synthesis of 1,2-diaryl-1-ethanones via a clean-chemistry C–C bond formation reaction

  摘要：

  In this report, we describe the parallel as well as conventional synthesis of 1,2-diaryl-1-ethanones via environmentally benign acylation of arenes with in situ generated arylacetyl trifluoroacetates. A wide variety of arylacetic acids I participated in trifluoroacetic anhydride/ phosphoric acid mediated C-C bond formation reaction when reacted with arenes of type II to give 1,2-diaryl-1-ethanones III in good to excellent yield. Under the solvent-free conditions these chemical transformations that normally require longer reaction time can be performed within minutes in good yield. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00407-1

文献信息

• US5677318A
  申请人：——

  公开号：US5677318A

  公开（公告）日：1997-10-14
• A high speed parallel synthesis of 1,2-diaryl-1-ethanones via a clean-chemistry C–C bond formation reaction
  作者：Venugopal Rao Veeramaneni、Manojit Pal、Koteswar Rao Yeleswarapu

  DOI：10.1016/s0040-4020(03)00407-1

  日期：2003.4

  In this report, we describe the parallel as well as conventional synthesis of 1,2-diaryl-1-ethanones via environmentally benign acylation of arenes with in situ generated arylacetyl trifluoroacetates. A wide variety of arylacetic acids I participated in trifluoroacetic anhydride/ phosphoric acid mediated C-C bond formation reaction when reacted with arenes of type II to give 1,2-diaryl-1-ethanones III in good to excellent yield. Under the solvent-free conditions these chemical transformations that normally require longer reaction time can be performed within minutes in good yield. (C) 2003 Elsevier Science Ltd. All rights reserved.