1-dimethoxyphosphoryl-3-(9H-xanthen-9-yl)propan-2-one | 216163-70-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-dimethoxyphosphoryl-3-(9H-xanthen-9-yl)propan-2-one
• CAS: 216163-70-1
• 化学式: C₁₈H₁₉O₅P
• 分子量: 346.32
• InChiKey: RQRIMQTWSIILHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-dimethoxyphosphoryl-3-(9H-xanthen-9-yl)propan-2-one 在 sodium hydroxide 、 双(三甲基硅烷基)氨基钾 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  2,3′-disubstituted-2-(2′-carboxycyclopropyl)glycines as potent and selective antagonists of metabotropic glutamate receptors

  摘要：

  2-(9-Xanthylmethyl)-2-(2' -carboxycyclopropyl) glycine 6e is a novel metabotropic glutamate receptor antagonist. A series of alpha, C-3' disubstituted (carboxycyclopropyl)glycines 6f-n were prepared. Antagonist activity was observed for all these compounds at group 2 and group 3 mGluRs. Although they were slightly less active on group 2 mGluRs than non C-3' substituted 6e, the compounds 6f-n were more selective with lesser or no activity on group I mGluR subtypes (IC50 values greater than 100 mu m). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00510-1
• 作为产物：
  描述：

  xanthen-9-yl-acetic acid ethyl ester 、 甲基膦酸二甲酯 在 正丁基锂 作用下， 生成 1-dimethoxyphosphoryl-3-(9H-xanthen-9-yl)propan-2-one
  参考文献：
  名称：

  2,3′-disubstituted-2-(2′-carboxycyclopropyl)glycines as potent and selective antagonists of metabotropic glutamate receptors

  摘要：

  2-(9-Xanthylmethyl)-2-(2' -carboxycyclopropyl) glycine 6e is a novel metabotropic glutamate receptor antagonist. A series of alpha, C-3' disubstituted (carboxycyclopropyl)glycines 6f-n were prepared. Antagonist activity was observed for all these compounds at group 2 and group 3 mGluRs. Although they were slightly less active on group 2 mGluRs than non C-3' substituted 6e, the compounds 6f-n were more selective with lesser or no activity on group I mGluR subtypes (IC50 values greater than 100 mu m). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00510-1