2-氯-6,8-二硝基喹啉 | 296759-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 2-氯-6,8-二硝基喹啉
• 中文别名: 2-氯-6,8-二硝基-喹啉
• 英文名称: 2-Chloro-6,8-dinitro-quinoline
• 英文别名: 2-chloro-6,8-dinitroquinoline
• CAS: 296759-28-9
• 化学式: C₉H₄ClN₃O₄
• 分子量: 253.601
• InChiKey: IDYIWUBBGNRYDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  2-氯-6,8-二硝基喹啉 在 硫酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.58h， 生成 6,8-Dinitro-2-piperazin-1-yl-quinoline
  参考文献：
  名称：

  Syntheses and binding affinities of 6-nitroquipazine analogues for serotonin transporter. Part 1

  摘要：

  6-Nitroquipazine has been known as one of the most potent and selective inhibitors of serotonin transporter in vitro and in vivo. Nine derivatives of 6-nitroquipazine were synthesized and tested for their potential abilities to displace [H-3]citalopram binding to the rat cortical membranes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00290-0
• 作为产物：
  描述：

  6,8-二硝基-3,4-二氢-2(1H)-喹啉酮 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以98%的产率得到2-氯-6,8-二硝基喹啉
  参考文献：
  名称：

  Syntheses and binding affinities of 6-nitroquipazine analogues for serotonin transporter. Part 1

  摘要：

  6-Nitroquipazine has been known as one of the most potent and selective inhibitors of serotonin transporter in vitro and in vivo. Nine derivatives of 6-nitroquipazine were synthesized and tested for their potential abilities to displace [H-3]citalopram binding to the rat cortical membranes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00290-0

文献信息

• Syntheses and binding affinities of 6-nitroquipazine analogues for serotonin transporter. Part 1
  作者：Byoung Se Lee、Soyoung Chu、Byung Chul Lee、Dae Yoon Chi、Yearn Seong Choe、Kyung Ja Jeong、Changbae Jin

  DOI：10.1016/s0960-894x(00)00290-0

  日期：2000.7

  6-Nitroquipazine has been known as one of the most potent and selective inhibitors of serotonin transporter in vitro and in vivo. Nine derivatives of 6-nitroquipazine were synthesized and tested for their potential abilities to displace [H-3]citalopram binding to the rat cortical membranes. (C) 2000 Elsevier Science Ltd. All rights reserved.