Trifluoro-methanesulfonic acid 2-benzo[1,3]dioxol-5-yl-4-cyano-phenyl ester | 565203-90-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: Trifluoro-methanesulfonic acid 2-benzo[1,3]dioxol-5-yl-4-cyano-phenyl ester
• CAS: 565203-90-9
• 化学式: C₁₅H₈F₃NO₅S
• 分子量: 371.293
• InChiKey: IJZJKECUHBIHFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  85.62
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Trifluoro-methanesulfonic acid 2-benzo[1,3]dioxol-5-yl-4-cyano-phenyl ester 在 bis-triphenylphosphine-palladium(II) chloride 、 正丁基锂 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 3-Benzo[1,3]dioxol-5-yl-4-[3-(4-cyano-phenyl)-3-hydroxy-3-(3-methyl-3H-imidazol-4-yl)-prop-1-ynyl]-benzonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-[3-biphenyl-2-yl-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-1-yl-benzonitrile as novel farnesyltransferase inhibitor

  摘要：

  Farnesyltransferase inhibitors (FTIs) have emerged as a novel class of anti-cancer agents. Analogues of the potent FTI, 4-[3-biphenyl-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-1-yl-benzonitrile, were synthesized and tested in vitro for their inhibitory activities. The synthesis and detailed biological data of this series of analogues are presented. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00122-7
• 作为产物：
  描述：

  3-Benzo[1,3]dioxol-5-yl-4-methoxy-benzonitrile 在 二乙基异丙基胺 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 Trifluoro-methanesulfonic acid 2-benzo[1,3]dioxol-5-yl-4-cyano-phenyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-[3-biphenyl-2-yl-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-1-yl-benzonitrile as novel farnesyltransferase inhibitor

  摘要：

  Farnesyltransferase inhibitors (FTIs) have emerged as a novel class of anti-cancer agents. Analogues of the potent FTI, 4-[3-biphenyl-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-1-yl-benzonitrile, were synthesized and tested in vitro for their inhibitory activities. The synthesis and detailed biological data of this series of analogues are presented. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00122-7