2-<3-<(trifluoromethyl)thio>phenyl>ethylamine | 82174-07-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-<3-<(trifluoromethyl)thio>phenyl>ethylamine
• 英文别名: 2-{3-[(Trifluoromethyl)sulfanyl]phenyl}ethan-1-amine；2-[3-(trifluoromethylsulfanyl)phenyl]ethanamine
• CAS: 82174-07-0
• 化学式: C₉H₁₀F₃NS
• 分子量: 221.246
• InChiKey: UKQFTUHOWPUVMI-UHFFFAOYSA-N

物化性质

• 沸点：
  205.2±40.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-<3-<(trifluoromethyl)thio>phenyl>ethylamine 在 亚氨基二砜氯化物 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以19%的产率得到2-[3-(trifluoromethylsulfanyl)phenyl]-N-[2-[3-(trifluoromethylsulfanyl)phenyl]ethylsulfamoylsulfamoyl]ethanamine
  参考文献：
  名称：

  Imidodisulfamides. 1. A novel class of antagonists of slow-reacting substance of anaphylaxis

  摘要：

  A series of N',N"-bis(aryl)- and N',N"-(aralkyl)imidodisulfamides was prepared and evaluated as antagonists of slow-reacting substance of anaphylaxis (SRS-A) induced contractions of isolated guinea pig ileum. Some of these compounds, notably N',N"-bis(4-phenylbutyl)-, N',N"-bis[2-(4-chlorophenyl)ethyl]-, and N',N"-bis[2-(4-bromophenyl)ethyl]imidodisulfamides (16, 22, and 26), were moderately potent and selective antagonists of SRS-A. The influence of lipophilic (pi) and electronic (sigma) factors on SRS-A antagonist activity appears to be of considerable importance to the derivation of potent and selective SRS-A antagonists.

  DOI：

  10.1021/jm00350a012
• 作为产物：
  描述：

  3-(三氟甲基硫代)苯甲酸 在 lithium aluminium tetrahydride 、 氯化亚砜 、 sodium iodide 、 diborane(6) 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 水 为溶剂， 反应 44.5h， 生成 2-<3-<(trifluoromethyl)thio>phenyl>ethylamine
  参考文献：
  名称：

  Imidodisulfamides. 1. A novel class of antagonists of slow-reacting substance of anaphylaxis

  摘要：

  A series of N',N"-bis(aryl)- and N',N"-(aralkyl)imidodisulfamides was prepared and evaluated as antagonists of slow-reacting substance of anaphylaxis (SRS-A) induced contractions of isolated guinea pig ileum. Some of these compounds, notably N',N"-bis(4-phenylbutyl)-, N',N"-bis[2-(4-chlorophenyl)ethyl]-, and N',N"-bis[2-(4-bromophenyl)ethyl]imidodisulfamides (16, 22, and 26), were moderately potent and selective antagonists of SRS-A. The influence of lipophilic (pi) and electronic (sigma) factors on SRS-A antagonist activity appears to be of considerable importance to the derivation of potent and selective SRS-A antagonists.

  DOI：

  10.1021/jm00350a012

文献信息

• ALI, F. EL-FEHAIL;DANDRIDGE, P. A.;GLEASON, J. G.;KRELL, R. D.;KRUSE, C. +, J. MED. CHEM., 1982, 25, N 8, 947-952
  作者：ALI, F. EL-FEHAIL、DANDRIDGE, P. A.、GLEASON, J. G.、KRELL, R. D.、KRUSE, C. +

  DOI：——

  日期：——