2-溴-N-(2-甲基烯丙基)苯胺 | 207122-91-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-溴-N-(2-甲基烯丙基)苯胺
• 英文名称: (2-Bromo-phenyl)-(2-methyl-allyl)-amine
• 英文别名: 2-Bromo-N-(2-methylallyl)aniline；2-bromo-N-(2-methylprop-2-enyl)aniline
• CAS: 207122-91-6
• 化学式: C₁₀H₁₂BrN
• mdl: MFCD16469680
• 分子量: 226.116
• InChiKey: GVSFRJIPIXDHEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-溴-N-(2-甲基烯丙基)苯胺 在 palladium diacetate 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到3,3-二甲基吲哚啉
  参考文献：
  名称：

  New nonsteroidal androgen receptor modulators based on 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone

  摘要：

  A series of 2(1H)-pyrrolidino [3,2-g]quinolinones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone, displayed moderate interaction with hAR, but more substituted analogues, particularly 6,7-disubstituted compounds, were potent hAR agonists in vitro. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00107-3
• 作为产物：
  描述：

  2-溴苯胺 、 3-氯-2-甲基丙烯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到2-溴-N-(2-甲基烯丙基)苯胺
  参考文献：
  名称：

  New nonsteroidal androgen receptor modulators based on 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone

  摘要：

  A series of 2(1H)-pyrrolidino [3,2-g]quinolinones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone, displayed moderate interaction with hAR, but more substituted analogues, particularly 6,7-disubstituted compounds, were potent hAR agonists in vitro. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00107-3

文献信息

• New nonsteroidal androgen receptor modulators based on 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone
  作者：James P. Edwards、Sarah J. West、Charlotte L.F. Pooley、Keith B. Marschke、Luc J. Farmer、Todd K. Jones

  DOI：10.1016/s0960-894x(98)00107-3

  日期：1998.4

  A series of 2(1H)-pyrrolidino [3,2-g]quinolinones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2(1H)-pyrrolidino[3,2-g]quinolinone, displayed moderate interaction with hAR, but more substituted analogues, particularly 6,7-disubstituted compounds, were potent hAR agonists in vitro. (C) 1998 Elsevier Science Ltd. All rights reserved.