1-(Naphthalene-1-carbonylamino)-3-(propan-2-ylideneamino)thiourea | 1234360-54-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(Naphthalene-1-carbonylamino)-3-(propan-2-ylideneamino)thiourea
• CAS: 1234360-54-3
• 化学式: C₁₅H₁₆N₄OS
• 分子量: 300.384
• InChiKey: XCKZNMWRXCPJBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  97.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(Naphthalene-1-carbonylamino)-3-(propan-2-ylideneamino)thiourea 、 丁炔二酸二甲酯 以 乙醇 为溶剂， 以88%的产率得到(Z)-methyl 2-[(Z)-2-(2-(1-naphthoyl)hydrazono)-4-oxo-3-(propan-2-ylideneamino)-1,3-thiazolidin-5-ylidene]acetate
  参考文献：
  名称：

  Synthesis of new 4-oxo-thiazolidine-5-ylidenes of antitumor and antioxidant activities

  摘要：

  Abstract magnified image Reaction of diacyl thiocarbohydrazides with dimethyl but‐2‐ynedioate in refluxing ethanol led to 4‐oxa‐thiazolidine‐5‐ylidene‐acetates in good yields. Reaction of the newly prepared N‐(2‐(propan‐2‐ylidene) hydrazine‐carbonothioyl)arylhydrazides with dimethyl but‐2‐ynedioate gave the corresponding (Z)‐methyl‐2‐arylhydrazide‐4‐oxo‐3‐(propan‐2‐ylideneamino)thiazolidine‐5‐ylidene)‐acetates. The mechanism is discussed. Antitumor and antioxidant activities have been also investigated. J. Heterocyclic Chem., (2010).

  DOI：

  10.1002/jhet.290
• 作为产物：
  描述：

  硫代卡巴肼 、 丙酮 、 1-萘甲酰氯 在 碳酸氢钠 作用下， 反应 3.58h， 以96%的产率得到1-(Naphthalene-1-carbonylamino)-3-(propan-2-ylideneamino)thiourea
  参考文献：
  名称：

  Synthesis of new 4-oxo-thiazolidine-5-ylidenes of antitumor and antioxidant activities

  摘要：

  Abstract magnified image Reaction of diacyl thiocarbohydrazides with dimethyl but‐2‐ynedioate in refluxing ethanol led to 4‐oxa‐thiazolidine‐5‐ylidene‐acetates in good yields. Reaction of the newly prepared N‐(2‐(propan‐2‐ylidene) hydrazine‐carbonothioyl)arylhydrazides with dimethyl but‐2‐ynedioate gave the corresponding (Z)‐methyl‐2‐arylhydrazide‐4‐oxo‐3‐(propan‐2‐ylideneamino)thiazolidine‐5‐ylidene)‐acetates. The mechanism is discussed. Antitumor and antioxidant activities have been also investigated. J. Heterocyclic Chem., (2010).

  DOI：

  10.1002/jhet.290