6,8-二硝基-3,4-二氢-2(1H)-喹啉酮 | 296759-27-8

• 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: 6,8-二硝基-3,4-二氢-2(1H)-喹啉酮
• 中文别名: 3,4-二氢-6,8-二硝基喹啉-2-酮；6,8-二硝基-3,4-二氢-1H-喹啉-2-酮
• 英文名称: 6,8-dinitro-3,4-dihydroquinolin-2-one
• 英文别名: 6,8-dinitro-3,4-dihydro-1H-quinolin-2-one；6,8-Dinitro-3,4-dihydro-1H-chinolin-2-on；6,8-Dinitro-3,4-dihydroquinolin-2(1H)-one；6,8-dinitro-3,4-dihydro-1H-quinolin-2-one
• CAS: 296759-27-8
• 化学式: C₉H₇N₃O₅
• 分子量: 237.172
• InChiKey: QPKRLMNDXKBONX-UHFFFAOYSA-N

物化性质

• 沸点：
  462.7±45.0 °C(Predicted)
• 密度：
  1.555±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  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 4.08h， 生成 4-(6,8-dinitroquinolin-2-yl)piperazine-1-carbaldehyde
  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-硝基-3,4-二氢-2(1H)-喹啉酮 在 硫酸 、 硝酸 作用下， 生成 6,8-二硝基-3,4-二氢-2(1H)-喹啉酮
  参考文献：
  名称：

  Ueda, Proceedings of the Imperial Academy (Tokyo), 1939, vol. 15, p. 148,153

  摘要：

  DOI：

文献信息

• van Dorp, Recueil des Travaux Chimiques des Pays-Bas, 1904, vol. 23, p. 320
  作者：van Dorp

  DOI：——

  日期：——
• Hydride adducts of dinitroquinolines in multicomponent Mannich reaction
  作者：A. Yu. Medvedeva、I. E. Yakunina、Yu. M. Atroshchenko、A. N. Shumskii、I. V. Blokhin

  DOI：10.1134/s1070428011110145

  日期：2011.11

  Dinitro derivatives of 8-oxyquinoline, 8-oxyquinaldine, and 3,4-dihydroquinolin-2-one when reacted with NaBH4 form hydride sigma(H)-adducts that are involved into a multicomponent Mannich reaction affording pyridoazabicyclo[3.3.1]nonane.
• CX.—Strychnine and brucine. Part X. The degradation of dinitrostrycholcarboxylic acid: its recognition as a derivative of quinoline and the consequent modifications of the constitutional formulæ for the Strychnos bases proposed in Part VII
  作者：Kottiazath Narayana Menon、William Henry Perkin、Robert Robinson

  DOI：10.1039/jr9300000830

  日期：——
• 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.
• Ueda, Proceedings of the Imperial Academy (Tokyo), 1939, vol. 15, p. 148,153
  作者：Ueda

  DOI：——

  日期：——