3-(4-chloro-3-nitrophenyl)prop-2-en-1-ol | 328899-08-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醇
• 英文名称: 3-(4-chloro-3-nitrophenyl)prop-2-en-1-ol
• CAS: 328899-08-7
• 化学式: C₉H₈ClNO₃
• 分子量: 213.62
• InChiKey: FUJWOXYVUGNWGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-chloro-3-nitrophenyl)prop-2-en-1-ol 在 氯化亚砜 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.5h， 生成 1-[8-[3-(4-chloro-3-nitrophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
  参考文献：
  名称：

  Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives

  摘要：

  A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards mu-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K-i values better or comparable with those of the models. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00065-2
• 作为产物：
  描述：

  4-氯-3-硝基苯甲醛 在 sodium hydride 、 二异丁基氢化铝 作用下， 以 甲苯 、 paraffin 为溶剂， 反应 4.0h， 生成 3-(4-chloro-3-nitrophenyl)prop-2-en-1-ol
  参考文献：
  名称：

  Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives

  摘要：

  A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards mu-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K-i values better or comparable with those of the models. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00065-2

文献信息

• Synthesis of oxadiazole-2-oxide analogues as potential antischistosomal agents
  作者：Ganesha Rai、Craig J. Thomas、William Leister、David J. Maloney

  DOI：10.1016/j.tetlet.2009.01.120

  日期：2009.4

  The synthesis of several 1,2,5-oxadiazole-2-oxide (Furoxan) analogues is described herein. These compounds were prepared in an effort to probe the SAR around the phenyl substituent and oxadiazole core for our studies toward thioredoxin-glutathione reductase (TGR) inhibition and antischistosomal activity. Published by Elsevier Ltd.
• Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives
  作者：D. Barlocco、G. Cignarella、P. Vianello、S. Villa、G.A. Pinna、P. Fadda、W. Fratta

  DOI：10.1016/s0014-827x(98)00065-2

  日期：1998.8

  A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards mu-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K-i values better or comparable with those of the models. (C) 1998 Elsevier Science S.A. All rights reserved.