3-苄基-8-丙酰基-3,8-二氮杂双环[3.2.1]辛烷 | 63978-12-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-苄基-8-丙酰基-3,8-二氮杂双环[3.2.1]辛烷
• 英文名称: 3-Benzyl-8-propionyl-3,8-diaza-bicyclo<3.2.1>octan
• 英文别名: 3-Benzyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane；1-(3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
• CAS: 63978-12-1
• 化学式: C₁₆H₂₂N₂O
• 分子量: 258.363
• InChiKey: MAQBLRFYCNOQJD-UHFFFAOYSA-N

物化性质

• 沸点：
  174 °C(Press: 1 Torr)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-苄基-8-丙酰基-3,8-二氮杂双环[3.2.1]辛烷 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 8-propionil-3,8-diazabiciclo<3,2,1>ottano
  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：

  丙酰氯 、 3-(苯基甲基)-3,8-二氮杂双环[3.2.1]辛烷 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 3-苄基-8-丙酰基-3,8-二氮杂双环[3.2.1]辛烷
  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

• OCCELLI E.; FONTANELLA L.; DIENA A., FARMACO. ED. SCI., 1978, 33, NO 6, 401-420
  作者：OCCELLI E.、 FONTANELLA L.、 DIENA A.

  DOI：——

  日期：——
• 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.