3-methyl-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one-5-acetic acid | 362677-94-9

• 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: 3-methyl-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one-5-acetic acid
• 英文别名: 2-[2-(2,4-Dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
• CAS: 362677-94-9
• 化学式: C₁₄H₁₆N₂O₃S
• 分子量: 292.359
• InChiKey: BOPBOWSNXDQEMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  95.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-methyl-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one-5-acetic acid 在 氯化亚砜 、 三乙胺 作用下， 以 苯 为溶剂， 反应 23.0h， 生成 3-methyl-2-(2,4-dimethylphenyl)imino-N-phenyl-1,3-thiazolidin-4-one-5-acetamide
  参考文献：
  名称：

  A Simple Construction of 2-Phenylimino-1,3-thiazolidin-4-ones

  摘要：

  A new methodology for the construction of 2-phenylimino-1,3-thiazolidin-4-one skeleton is described. Reaction of maleic anhydride (5a) or maleimides (5b, 5c) with thiourea (6) gave the corresponding 2-imino-1,3-thiazolidin-4-ones (7) and (9) respectively. The reaction proceeded with high yield in polar solvents. In non-polar solvents at high temperature, however, isothiocyanate (8) was formed as a by-product presumably by the pyrolysis of thiourea (6). The proposed mechanism of the reaction was discussed.

  DOI：

  10.3987/com-01-9227
• 作为产物：
  描述：

  马来酸酐 、 N-甲基-N'-(2,4-二甲基苯基)硫脲 以 乙腈 为溶剂， 反应 24.0h， 以100%的产率得到3-methyl-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one-5-acetic acid
  参考文献：
  名称：

  A Simple Construction of 2-Phenylimino-1,3-thiazolidin-4-ones

  摘要：

  A new methodology for the construction of 2-phenylimino-1,3-thiazolidin-4-one skeleton is described. Reaction of maleic anhydride (5a) or maleimides (5b, 5c) with thiourea (6) gave the corresponding 2-imino-1,3-thiazolidin-4-ones (7) and (9) respectively. The reaction proceeded with high yield in polar solvents. In non-polar solvents at high temperature, however, isothiocyanate (8) was formed as a by-product presumably by the pyrolysis of thiourea (6). The proposed mechanism of the reaction was discussed.

  DOI：

  10.3987/com-01-9227