1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tris(3-(2-aminophenylthio)propan-1-one) | 1123041-99-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tris(3-(2-aminophenylthio)propan-1-one)
• 英文别名: 3-(2-Aminophenyl)sulfanyl-1-[3,5-bis[3-(2-aminophenyl)sulfanylpropanoyl]-1,3,5-triazinan-1-yl]propan-1-one；3-(2-aminophenyl)sulfanyl-1-[3,5-bis[3-(2-aminophenyl)sulfanylpropanoyl]-1,3,5-triazinan-1-yl]propan-1-one
• CAS: 1123041-99-5
• 化学式: C₃₀H₃₆N₆O₃S₃
• 分子量: 624.852
• InChiKey: JHCDSYFGYMUWJR-UHFFFAOYSA-N

物化性质

• 熔点：
  72-73 °C
• 沸点：
  900.8±65.0 °C(predicted)
• 密度：
  1.40±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  215
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,3,5-三丙烯酰基六氢-1,3,5-三嗪 、 2-氨基苯硫醇 以 甲醇 、 氯仿 为溶剂， 反应 0.17h， 以82%的产率得到1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tris(3-(2-aminophenylthio)propan-1-one)
  参考文献：
  名称：

  Thiol-ene reactions of 1,3,5-triacryloylhexahydro-1,3,5-triazine (TAT): facile access to functional tripodal thioethers

  摘要：

  Efficient syntheses of tripodal thioethers have been achieved by ionic thiol-ene reactions of 1,3,5-triacryloylhexahydro-1,3,5-triazine (TAT) with a variety of commercially available thiols. The reactions are complete within minutes and give the products in high yields (63-96%) and high purity without a complex workup. The thiol-ene reactions tolerate a wide range of functionality, including hydroxy, amino, carboxylate, and trimethoxylsilyl groups. The amino acid cysteine is also an excellent substrate for this reaction. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.11.094

文献信息

• Thiol-ene reactions of 1,3,5-triacryloylhexahydro-1,3,5-triazine (TAT): facile access to functional tripodal thioethers
  作者：Chinwon Rim、Lauren J. Lahey、Vijita G. Patel、Hongming Zhang、David Y. Son

  DOI：10.1016/j.tetlet.2008.11.094

  日期：2009.2

  Efficient syntheses of tripodal thioethers have been achieved by ionic thiol-ene reactions of 1,3,5-triacryloylhexahydro-1,3,5-triazine (TAT) with a variety of commercially available thiols. The reactions are complete within minutes and give the products in high yields (63-96%) and high purity without a complex workup. The thiol-ene reactions tolerate a wide range of functionality, including hydroxy, amino, carboxylate, and trimethoxylsilyl groups. The amino acid cysteine is also an excellent substrate for this reaction. (C) 2008 Elsevier Ltd. All rights reserved.