5-Bromo-2-(2,4-dinitrophenyl)sulfanyl-1-prop-2-ynylbenzimidazole | 1424375-08-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-Bromo-2-(2,4-dinitrophenyl)sulfanyl-1-prop-2-ynylbenzimidazole
• 英文别名: 5-bromo-2-(2,4-dinitrophenyl)sulfanyl-1-prop-2-ynylbenzimidazole
• CAS: 1424375-08-5
• 化学式: C₁₆H₉BrN₄O₄S
• 分子量: 433.242
• InChiKey: OOKIMHLMHGNBDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Bromo-2-(2,4-dinitrophenyl)sulfanyl-1-prop-2-ynylbenzimidazole 、 [(4-甲氧苯基)次甲基]氮烷氧化 在 三乙胺 、 1,3-二-叔丁基咪唑氯化物 作用下， 以 二氯甲烷 为溶剂， 反应 0.53h， 以92%的产率得到5-[[5-Bromo-2-(2,4-dinitrophenyl)sulfanylbenzimidazol-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole
  参考文献：
  名称：

  Regioselective synthesis of isoxazole–mercaptobenzimidazole hybrids and their in vivo analgesic and anti-inflammatory activity studies

  摘要：

  Regioselective synthesis of isoxazole-mercaptobenzimidazole hybrids and their efficiency in in vivo analgesic and anti-inflammatory activity was described. A comparison of structure-activity relationship for there compounds was also emphasized. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.101
• 作为产物：
  描述：

  5-溴-1,3-二氢-2H-苯并咪唑-2-硫酮 在 potassium carbonate 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 丙酮 、 甲苯 为溶剂， 反应 8.0h， 生成 5-Bromo-2-(2,4-dinitrophenyl)sulfanyl-1-prop-2-ynylbenzimidazole
  参考文献：
  名称：

  Regioselective synthesis of isoxazole–mercaptobenzimidazole hybrids and their in vivo analgesic and anti-inflammatory activity studies

  摘要：

  Regioselective synthesis of isoxazole-mercaptobenzimidazole hybrids and their efficiency in in vivo analgesic and anti-inflammatory activity was described. A comparison of structure-activity relationship for there compounds was also emphasized. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.101

文献信息

• Regioselective synthesis of some new 1,4-disubstituted sulfonyl-1,2,3-triazoles and their antibacterial activity studies
  作者：Narasimha Swamy Thirukovela、Shravankumar Kankala、Ranjith Kumar Kankala、Suresh Paidakula、Mohan Rao Gangula、Chandra Sekhar Vasam、Ravinder Vadde

  DOI：10.1007/s00044-017-1926-6

  日期：2017.9

  Some new 1,4-disubstituted-sulfonyl-1,2,3-triazoles (3a–f, 5a–h, 7a–d, and 9a–e) were regioselectively synthesized in high yields by Cu(I) catalyzed 1,3-dipolar cycloaddition (DC) reaction of p-acetamidobenzenesulfonyl azide (p-ABSA) with terminal alkynes. These new triazole compounds were evaluated for in vitro antibacterial activity against a panel of Gram-positive Bacillus sphericus, Staphylococcus

  Cu（I）催化1,3以高收率选择性合成了一些新的1,4-二取代-磺酰基-1,2,3-三唑（3a – f，5a – h，7a – d和9a – e）。顺丁烯二（DC）反应p -acetamidobenzenesulfonyl叠氮化物（p -ABSA）与末端炔烃。评估了这些新的三唑化合物对一组革兰氏阳性球菌，表皮葡萄球菌和革兰氏阴性克雷伯菌肺炎，大肠杆菌的体外抗菌活性。种类。发现这些化合物中的几种具有与商业标准青霉素-G和链霉素相当的生长抑制活性。
• Regioselective synthesis of isoxazole–mercaptobenzimidazole hybrids and their in vivo analgesic and anti-inflammatory activity studies
  作者：Shravankumar Kankala、Ranjith Kumar Kankala、Prasad Gundepaka、Niranjan Thota、Srinivas Nerella、Mohan Rao Gangula、Hanmanthu Guguloth、Mukkanti Kagga、Ravinder Vadde、Chandra Sekhar Vasam

  DOI：10.1016/j.bmcl.2012.12.101

  日期：2013.3

  Regioselective synthesis of isoxazole-mercaptobenzimidazole hybrids and their efficiency in in vivo analgesic and anti-inflammatory activity was described. A comparison of structure-activity relationship for there compounds was also emphasized. (c) 2013 Elsevier Ltd. All rights reserved.