2-{[(4-Aminophenyl)methyl]sulfanyl}aniline | 74551-01-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-{[(4-Aminophenyl)methyl]sulfanyl}aniline
• 英文别名: 2-[(4-aminophenyl)methylsulfanyl]aniline
• CAS: 74551-01-2
• 化学式: C₁₃H₁₄N₂S
• 分子量: 230.334
• InChiKey: QWAZVFXYTZBIHW-UHFFFAOYSA-N

物化性质

• 沸点：
  419.3±30.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  77.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[[2-[(2-Carbonochloridoylphenoxy)methyl]-4,5-dimethylphenyl]methoxy]benzoyl chloride 、 2-{[(4-Aminophenyl)methyl]sulfanyl}aniline 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 6.0h， 以40%的产率得到
  参考文献：
  名称：

  Synthesis and study of anti-inflammatory activity of some novel cyclophane amides

  摘要：

  Macrocyclic di- and tetra-amides with thia- and oxylinkages were synthesized and screened for in vitro anti-inflammatory activity. Cyclophane diamide 15 showed a dose-dependent activity, while the other cyclophane amides 16-20 exhibited mild activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.124
• 作为产物：
  描述：

  2-<(4-nitrobenzyl)thio>aniline 在 盐酸 、 铁粉 作用下， 反应 3.0h， 以62%的产率得到2-{[(4-Aminophenyl)methyl]sulfanyl}aniline
  参考文献：
  名称：

  Synthesis and study of anti-inflammatory activity of some novel cyclophane amides

  摘要：

  Macrocyclic di- and tetra-amides with thia- and oxylinkages were synthesized and screened for in vitro anti-inflammatory activity. Cyclophane diamide 15 showed a dose-dependent activity, while the other cyclophane amides 16-20 exhibited mild activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.124

文献信息

• Synthesis and study of anti-inflammatory activity of some novel cyclophane amides
  作者：Perumal Rajakumar、A. Mohammed Abdul Rasheed、A. Iman Rabia、D. Chamundeeswari

  DOI：10.1016/j.bmcl.2006.08.124

  日期：2006.12

  Macrocyclic di- and tetra-amides with thia- and oxylinkages were synthesized and screened for in vitro anti-inflammatory activity. Cyclophane diamide 15 showed a dose-dependent activity, while the other cyclophane amides 16-20 exhibited mild activity. (c) 2006 Elsevier Ltd. All rights reserved.