N-dicarbethoxy-methyl N'-phenyl thiouree | 96749-36-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-dicarbethoxy-methyl N'-phenyl thiouree
• 英文别名: N-Phenylthioureido-malonsaeure-diaethylester；1,3-Diethyl 2-[[(phenylamino)thioxomethyl]amino]propanedioate；diethyl 2-(phenylcarbamothioylamino)propanedioate
• CAS: 96749-36-9
• 化学式: C₁₄H₁₈N₂O₄S
• 分子量: 310.374
• InChiKey: KLIMGFUKUMOWEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-dicarbethoxy-methyl N'-phenyl thiouree 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以90%的产率得到5-carbethoxy 3-phenyl-2-thio hydantoine
  参考文献：
  名称：

  Synthèse de dérivés de la 2-thio hydantoïne à potentialité immunorégulatrice et anticancéreuse

  摘要：

  Functionallized 2-thiohydantoins were synthesized. Their immunomodulating and anticancer actions were evaluated. It is shown that for these potentially active products on chronic inflammatory diseases involving cellular-mediated immunity the development of immunomodulating activity is related to the cyclised thiourea structure. Anticancer activity is weak. These biological activities are however insufficient to promote an industrial development.

  DOI：

  10.1016/0223-5234(92)90011-o
• 作为产物：
  描述：

  氨基丙二酸二乙酯 、 硫代异氰酸苯酯 以 乙醇 为溶剂， 反应 24.0h， 以76%的产率得到N-dicarbethoxy-methyl N'-phenyl thiouree
  参考文献：
  名称：

  Synthèse de dérivés de la 2-thio hydantoïne à potentialité immunorégulatrice et anticancéreuse

  摘要：

  Functionallized 2-thiohydantoins were synthesized. Their immunomodulating and anticancer actions were evaluated. It is shown that for these potentially active products on chronic inflammatory diseases involving cellular-mediated immunity the development of immunomodulating activity is related to the cyclised thiourea structure. Anticancer activity is weak. These biological activities are however insufficient to promote an industrial development.

  DOI：

  10.1016/0223-5234(92)90011-o