4-acetamido-2-acetylphenyl cyclopropanecarboxylate | 1318802-93-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-acetamido-2-acetylphenyl cyclopropanecarboxylate
• CAS: 1318802-93-5
• 化学式: C₁₄H₁₅NO₄
• 分子量: 261.277
• InChiKey: CPHXXMMDZQMNHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.47
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-acetamido-2-acetylphenyl cyclopropanecarboxylate 在 六甲基磷酰三胺 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成
  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'-甲氧基乙酰苯胺 在 二硫化碳 、 aluminum (III) chloride 、 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 4-acetamido-2-acetylphenyl cyclopropanecarboxylate
  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