| 474116-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• CAS: 474116-62-6
• 化学式: C₁₂H₁₅NOS
• 分子量: 221.323
• InChiKey: BIMLALBXSCXBQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  21.59
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  苯氧乙酰氯 、 在 三乙胺 作用下， 以 苯 为溶剂， 反应 12.0h， 以50%的产率得到(2R,3R)-10-methoxy-2-methylsulfanyl-3-phenoxy-5-azatricyclo[7.4.0.02,5]trideca-1(9),10,12-trien-4-one
  参考文献：
  名称：

  Synthesis of novel furo, thieno, and benzazetoazepines and evaluation of their cytotoxicity

  摘要：

  We report the regio- and stereoselective synthesis of a novel cis-C3N-C4X-C6N series (X=O, S, and C-2) from cyclic ketones. The cytotoxic activity of the now compounds was studied in five cell lines; the observed activities were in accordance with the concept of bioisosteric replacement. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00232-9
• 作为产物：
  描述：

  2,3,4,5-tetrahydro-6-methoxy-1H-2-benzazepin-1-one 在 劳森试剂 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis of novel furo, thieno, and benzazetoazepines and evaluation of their cytotoxicity

  摘要：

  We report the regio- and stereoselective synthesis of a novel cis-C3N-C4X-C6N series (X=O, S, and C-2) from cyclic ketones. The cytotoxic activity of the now compounds was studied in five cell lines; the observed activities were in accordance with the concept of bioisosteric replacement. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00232-9