4-(4'-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine | 1222313-17-8

• 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'-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine
• 英文别名: 4-[4-(4-Hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol；4-[4-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenol
• CAS: 1222313-17-8
• 化学式: C₂₁H₁₇NO₂S
• 分子量: 347.437
• InChiKey: MCBGILSXWGMMSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 4-(4'-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine 、 甲氧苯胺 以 甲醇 为溶剂， 以68%的产率得到4-(4'-hydroxyphenyl)-2-(4-hydroxyphenyl)-3-[(4-methoxyphenylaminomethyl)]-2,3-dihydro-1,5-benzothiazepine
  参考文献：
  名称：

  Synthesis and evaluation of some new substituted benzothiazepine and benzoxazepine derivatives as anticonvulsant agents

  摘要：

  A new series of 4-(4'-Hydroxyphenyl)-2-(3-substitutedphenyl)-3-(4-substitutedphenylamino methylene)-2,3-dihydro-1,5-benzothiazepines (3a-3j) and 4-(4'-Hydroxyphenyl)-2-(3-substituted phenyl)-3(4-substitutedphenylaminomethylene)-2,3-dihydro-1,5-benzoxazepins (3a'-3j') were synthesized and evaluated for their anticonvulsant activity. All these compounds were screened in vivo, for their anticonvulsant activity and acute toxicity. Compound 3g was found to be most potent compound of this series and was compared with the reference drug phenytion sodium. The structures of these compounds have been established by IR, (1)H NMR and (13)C NMR spectroscopic data. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.01.001
• 作为产物：
  描述：

  4',4-dihydroxychalcone 、 2-氨基苯硫醇 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 以70%的产率得到4-(4'-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine
  参考文献：
  名称：

  Synthesis and evaluation of some new substituted benzothiazepine and benzoxazepine derivatives as anticonvulsant agents

  摘要：

  A new series of 4-(4'-Hydroxyphenyl)-2-(3-substitutedphenyl)-3-(4-substitutedphenylamino methylene)-2,3-dihydro-1,5-benzothiazepines (3a-3j) and 4-(4'-Hydroxyphenyl)-2-(3-substituted phenyl)-3(4-substitutedphenylaminomethylene)-2,3-dihydro-1,5-benzoxazepins (3a'-3j') were synthesized and evaluated for their anticonvulsant activity. All these compounds were screened in vivo, for their anticonvulsant activity and acute toxicity. Compound 3g was found to be most potent compound of this series and was compared with the reference drug phenytion sodium. The structures of these compounds have been established by IR, (1)H NMR and (13)C NMR spectroscopic data. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.01.001