(S)-(+)-mandeloyl chloride | 105881-44-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-(+)-mandeloyl chloride
• 英文别名: (2S)-2-hydroxy-2-phenylacetyl chloride
• CAS: 105881-44-5
• 化学式: C₈H₇ClO₂
• 分子量: 170.595
• InChiKey: PUWQVDWJJCSTLK-ZETCQYMHSA-N

物化性质

• 沸点：
  262.9±33.0 °C(Predicted)
• 密度：
  1.322±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  、 (S)-(+)-mandeloyl chloride 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl (S)-5-(2-hydroxy-2-phenylacetyl)-3-(4-methylbenzamido)-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate
  参考文献：
  名称：

  Design and synthesis of 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles and pyrazolo[3,4-b]pyridines for Aurora-A kinase inhibitors

  摘要：

  Two series of 3-aminopyrazole compounds including 24 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles and 16 pyrazolo[3,4-b]pyridines were synthesized and evaluated against HCT116, A549, and A2780 tumor cell lines. Among them, three compounds were found to have the ideal anti-proliferative activities in vitro. Docking experiments showed that the novel pyrazolo[3,4-b]pyridines share the similar interaction mode with Aurora-A kinase as PHA739358. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.083
• 作为产物：
  描述：

  (S)-(+)-扁桃酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 (S)-(+)-mandeloyl chloride
  参考文献：
  名称：

  Design and synthesis of 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles and pyrazolo[3,4-b]pyridines for Aurora-A kinase inhibitors

  摘要：

  Two series of 3-aminopyrazole compounds including 24 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles and 16 pyrazolo[3,4-b]pyridines were synthesized and evaluated against HCT116, A549, and A2780 tumor cell lines. Among them, three compounds were found to have the ideal anti-proliferative activities in vitro. Docking experiments showed that the novel pyrazolo[3,4-b]pyridines share the similar interaction mode with Aurora-A kinase as PHA739358. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.083

文献信息

• A NOVEL PROCESS FOR SYNTHESIS OF POLYPHENOLS
  申请人：Sphaera Pharma Pte. Ltd

  公开号：EP2668176B1

  公开（公告）日：2017-05-17
• Design and synthesis of 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles and pyrazolo[3,4-b]pyridines for Aurora-A kinase inhibitors
  作者：Jianyou Shi、Guobin Xu、Wei Zhu、Haoyu Ye、Shengyong Yang、Youfu Luo、Jing Han、Jincheng Yang、Rui Li、Yuquan Wei、Lijuan Chen

  DOI：10.1016/j.bmcl.2010.04.083

  日期：2010.7

  Two series of 3-aminopyrazole compounds including 24 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles and 16 pyrazolo[3,4-b]pyridines were synthesized and evaluated against HCT116, A549, and A2780 tumor cell lines. Among them, three compounds were found to have the ideal anti-proliferative activities in vitro. Docking experiments showed that the novel pyrazolo[3,4-b]pyridines share the similar interaction mode with Aurora-A kinase as PHA739358. (C) 2010 Elsevier Ltd. All rights reserved.