tert-Butyl 4-(1-(2-phenylacetoxy)allyl)piperidine-1-carboxylate | 737766-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-Butyl 4-(1-(2-phenylacetoxy)allyl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-[1-(2-phenylacetyl)oxyprop-2-enyl]piperidine-1-carboxylate
• CAS: 737766-63-1
• 化学式: C₂₁H₂₉NO₄
• 分子量: 359.466
• InChiKey: QKOOUGSIQCBJAF-UHFFFAOYSA-N

物化性质

• 沸点：
  459.3±20.0 °C(Predicted)
• 密度：
  1.092±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  tert-Butyl 4-(1-(2-phenylacetoxy)allyl)piperidine-1-carboxylate 在 乙酸铵 、 臭氧 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4-(2-Benzyl-oxazol-5-yl)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor

  摘要：

  Efforts toward the exploration of the title compounds as CCR5 antagonists are disclosed. The basis for such work stems from the fact that cellular proliferation of HIV-1 requires the cooperative assistance of both CCR5 and CD4 receptors. The synthesis and SAR of pyrrolidineacetic acid derivatives as CCR5 antagonists displaying potent binding and antiviral properties in a HeLa cell-based HIV-1 infectivity assay are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.078
• 作为产物：
  描述：

  1-叔丁氧羰基哌啶-4-甲醛 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 生成 tert-Butyl 4-(1-(2-phenylacetoxy)allyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor

  摘要：

  Efforts toward the exploration of the title compounds as CCR5 antagonists are disclosed. The basis for such work stems from the fact that cellular proliferation of HIV-1 requires the cooperative assistance of both CCR5 and CD4 receptors. The synthesis and SAR of pyrrolidineacetic acid derivatives as CCR5 antagonists displaying potent binding and antiviral properties in a HeLa cell-based HIV-1 infectivity assay are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.078

文献信息

• Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor
  作者：K. Shankaran、Karla L. Donnelly、Shrenik K. Shah、Ravindra N. Guthikonda、Malcolm MacCoss、Sander G. Mills、Sandra L. Gould、Lorraine Malkowitz、Salvatore J. Siciliano、Martin S. Springer、Anthony Carella、Gwen Carver、Daria Hazuda、Karen Holmes、Joseph Kessler、Janet Lineberger、Michael D. Miller、Emilio A. Emini、William A. Schleif

  DOI：10.1016/j.bmcl.2004.04.078

  日期：2004.7

  Efforts toward the exploration of the title compounds as CCR5 antagonists are disclosed. The basis for such work stems from the fact that cellular proliferation of HIV-1 requires the cooperative assistance of both CCR5 and CD4 receptors. The synthesis and SAR of pyrrolidineacetic acid derivatives as CCR5 antagonists displaying potent binding and antiviral properties in a HeLa cell-based HIV-1 infectivity assay are discussed. (C) 2004 Elsevier Ltd. All rights reserved.