8-Chloro-4-(4-fluoro-2-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid | 546140-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 8-Chloro-4-(4-fluoro-2-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
• CAS: 546140-05-0
• 化学式: C₁₇H₁₃ClFNO₂S
• 分子量: 349.813
• InChiKey: OWIZRESWKVSPEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  75
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-5-氯噻吩 、 3-(4-fluoro-2-methylbenzoyl)-2-propenoic acid 在 LaY zeolite 作用下， 反应 0.2h， 以72%的产率得到8-Chloro-4-(4-fluoro-2-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
  参考文献：
  名称：

  The expedient synthesis of 1,5-benzothiazepines as a family of cytotoxic drugs

  摘要：

  The expedient synthesis of 1,5-benzothiazepines using LaY zeolite under stirring condition is reported and synthesized compound screened for cytotoxic activity. The reaction produces the product in relatively low yields and requires a long time when they were performed in various solvents under conventional and microwave irradiation. Thus, the procedure provides a simple and green synthetic methodology under environmentally friendly conditions. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.002