1-cyclobutyl-3-methoxypropan-1-one | 647854-15-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-cyclobutyl-3-methoxypropan-1-one
• 英文别名: 1-Cyclobutyl-3-methoxypropan-1-one
• CAS: 647854-15-7
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: FKNQRWPYMLLBIV-UHFFFAOYSA-N

物化性质

• 沸点：
  209.1±13.0 °C(Predicted)
• 密度：
  1.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-cyclobutyl-3-methoxypropan-1-one 在 palladium on activated charcoal 氢气 、 sodium hydride 、 溶剂黄146 、 肼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 甲苯 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands

  摘要：

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00398-5
• 作为产物：
  描述：

  环丁基甲酸 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.75h， 生成 1-cyclobutyl-3-methoxypropan-1-one
  参考文献：
  名称：

  Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands

  摘要：

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00398-5

文献信息

• Pyrazolo-[1,5-a]-1,3,5-triazine corticotropin-Releasing factor (CRF) receptor ligands
  作者：Paul J Gilligan、Beverly K Folmer、Richard A Hartz、Stephanie Koch、Kausik K Nanda、Stephen Andreuski、Lawrence Fitzgerald、Keith Miller、William J Marshall

  DOI：10.1016/s0968-0896(03)00398-5

  日期：2003.9

  The syntheses and rat CRF receptor binding affinities of 'retro-pyrazolotriazine' corticotropin-releasing factor (CRF) ligands 4 are reported. Some have high affinity for rat CRF receptors (K-i < 10 nM). The data provide additional support for the hypothesis that it is possible to interchange isosteric cores with similar electronic properties in the design of high-affinity CRF receptor ligands, provided the peripheral pharmacophore elements are maintained in the same three-dimensional array. (C) 2003 Elsevier Ltd. All rights reserved.