4-(4-Fluoro-2-methylphenyl)-8-methoxy-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid | 546140-01-6

• 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: 4-(4-Fluoro-2-methylphenyl)-8-methoxy-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
• CAS: 546140-01-6
• 化学式: C₁₈H₁₆FNO₃S
• 分子量: 345.394
• InChiKey: QFJZFLKRPWVTSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(4-fluoro-2-methylbenzoyl)-2-propenoic acid 、 2-氨基-5-甲氧基苯硫酚 在 LaY zeolite 作用下， 反应 0.13h， 以94%的产率得到4-(4-Fluoro-2-methylphenyl)-8-methoxy-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

文献信息

• The expedient synthesis of 1,5-benzothiazepines as a family of cytotoxic drugs
  作者：Kapil Arya、Anshu Dandia

  DOI：10.1016/j.bmcl.2007.11.002

  日期：2008.1

  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.