(2-(benzyloxy)-5-((3S,4S)-3,4-bis(methoxymethoxy)pyrrolidin-1-yl)phenyl)boronic acid | 1318802-87-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2-(benzyloxy)-5-((3S,4S)-3,4-bis(methoxymethoxy)pyrrolidin-1-yl)phenyl)boronic acid
• CAS: 1318802-87-7
• 化学式: C₂₁H₂₈BNO₇
• 分子量: 417.267
• InChiKey: PIXKAEWTSYKGIF-SFTDATJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.74
• 重原子数：
  30.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  89.85
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (2-(benzyloxy)-5-((3S,4S)-3,4-bis(methoxymethoxy)pyrrolidin-1-yl)phenyl)boronic acid 在 四(三苯基膦)钯 、 氢溴酸 、 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (3S,4S)-1-{3-[2-amino-6-(4-morpholinyl)-4-pyrimidinyl]-4-hydroxyphenyl}-3,4-pyrrolidinediol
  参考文献：
  名称：

  Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors

  摘要：

  A series of new 2-(2-aminopyrimidin-4-yl)phenol derivatives were synthesized as potential antitumor compounds. Substitution with pyrrolidine-3,4-diol at the 4-position of phenol provided potent inhibitory activity against CDK1 and CDK2. X-ray crystal structural studies were performed to account for the effect of the substituent on both the enzymatic and cell growth inhibitory activities. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.081
• 作为产物：
  描述：

  4-苄氧基-3-溴苯胺 在 正丁基锂 、 硼酸三甲酯 、 三乙胺 作用下， 以 四氢呋喃 、 正丁醇 为溶剂， 生成 (2-(benzyloxy)-5-((3S,4S)-3,4-bis(methoxymethoxy)pyrrolidin-1-yl)phenyl)boronic acid
  参考文献：
  名称：

  Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors

  摘要：

  A series of new 2-(2-aminopyrimidin-4-yl)phenol derivatives were synthesized as potential antitumor compounds. Substitution with pyrrolidine-3,4-diol at the 4-position of phenol provided potent inhibitory activity against CDK1 and CDK2. X-ray crystal structural studies were performed to account for the effect of the substituent on both the enzymatic and cell growth inhibitory activities. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.081