2-(5-Chloro-4-methoxy-2-nitrophenyl)acetonitrile | 1190877-41-8

• 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: 2-(5-Chloro-4-methoxy-2-nitrophenyl)acetonitrile
• CAS: 1190877-41-8
• 化学式: C₉H₇ClN₂O₃
• 分子量: 226.619
• InChiKey: WLXPKEYBCNJFDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(5-Chloro-4-methoxy-2-nitrophenyl)acetonitrile 在 硼烷四氢呋喃络合物 作用下， 生成
  参考文献：
  名称：

  Design and discovery of 1,3-benzodiazepines as novel dopamine antagonists

  摘要：

  A series of novel 1,3-benzodiazapine based D1 antagonists was designed according to the understanding of pharmacophore models derived from SCH 23390 (1b), a potent and selective D1 antagonist. The new design features an achiral cyclic-amidine that maintains desired basicity. Solid phase synthesis was developed for SAR development of the novel dopamine antagonists. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.012
• 作为产物：
  描述：

  二甲基二硫代氨基甲酸氰基甲基酯 、 2-氯-5-硝基茴香醚 在 二甲基亚砜 、 sodium hydroxide 作用下， 生成 2-(3-Chloro-2-methoxy-6-nitrophenyl)acetonitrile 、 2-(5-Chloro-4-methoxy-2-nitrophenyl)acetonitrile
  参考文献：
  名称：

  Design and discovery of 1,3-benzodiazepines as novel dopamine antagonists

  摘要：

  A series of novel 1,3-benzodiazapine based D1 antagonists was designed according to the understanding of pharmacophore models derived from SCH 23390 (1b), a potent and selective D1 antagonist. The new design features an achiral cyclic-amidine that maintains desired basicity. Solid phase synthesis was developed for SAR development of the novel dopamine antagonists. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.012

文献信息

• Design and discovery of 1,3-benzodiazepines as novel dopamine antagonists
  作者：Zhaoning Zhu、Zhong-Yue Sun、Yuanzan Ye、Brian McKittrick、William Greenlee、Michael Czarniecki、Ahmad Fawzi、Hongtao Zhang、Jean E. Lachowicz

  DOI：10.1016/j.bmcl.2009.07.012

  日期：2009.9

  A series of novel 1,3-benzodiazapine based D1 antagonists was designed according to the understanding of pharmacophore models derived from SCH 23390 (1b), a potent and selective D1 antagonist. The new design features an achiral cyclic-amidine that maintains desired basicity. Solid phase synthesis was developed for SAR development of the novel dopamine antagonists. (C) 2009 Elsevier Ltd. All rights reserved.