1-(2-氯-苯基)-乙酮缩氨基脲 | 120445-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-氯-苯基)-乙酮缩氨基脲
• 英文名称: 1-(2-chloro-phenyl)-ethanone semicarbazone
• 英文别名: 1-(2-Chlor-phenyl)-aethanon-semicarbazon；2-(1-(2-Chlorophenyl)ethylidene)hydrazinecarboxamide；[(E)-1-(2-chlorophenyl)ethylideneamino]urea
• CAS: 120445-83-2
• 化学式: C₉H₁₀ClN₃O
• 分子量: 211.651
• InChiKey: QRYYNWCEQGXCED-WUXMJOGZSA-N

物化性质

• 溶解度：
  17.6 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-氯-苯基)-乙酮缩氨基脲 在 manganese triacetate 作用下， 以 溶剂黄146 为溶剂， 生成 邻氯苯乙酮
  参考文献：
  名称：

  Sankaran, K. R.; Ramakrishnan, Kalyani; Srinivasan, Vangalur S., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1988, vol. 27, # 11, p. 956 - 958

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-氯苯基)乙醇 在 盐酸 、 sodium dichromate 作用下， 生成 1-(2-氯-苯基)-乙酮缩氨基脲
  参考文献：
  名称：

  Synthetic Routes to meso Substituted 1,2-Benzanthracene Derivatives

  摘要：

  DOI：

  10.1021/ja01870a044

文献信息

• A New Synthetic Approach to Indazole Synthesis
  作者：Pier Giovanni Baraldi、Barbara Cacciari、Giampiero Spalluto、Romeo Romagnoli、Giovanni Braccioli、Zaid、Maria J. Pineda de las Infantas

  DOI：10.1055/s-1997-1328

  日期：1997.10

  Stobbe condensation of 3-alkyl- or aryl-4-formylpyrazoles 3a-f with diethyl succinate in the presence of potassium t-butoxide, followed by intramolecular ring closure (Ac2O-NaOAc), afforded the corresponding indazole derivatives 5a-f in 65-85% overall yield. These compounds are good starting materials for transformation to biologically active molecules, such as new pyrazole analogs of the left-hand segment of the potent natural antineoplastic agent CC-1065.

  3-烷基或芳基-4-甲酰基吡唑 3a-f 与二乙基梯酸在存在叔丁氧化钾的条件下进行 Stobbe 冷凝反应，随后通过分子内环合（Ac2O-NaOAc）生成相应的吲哚-并噁唑衍生物 5a-f，整体产率为 65-85%。这些化合物是转化为生物活性分子的良好起始材料，例如强效天然抗肿瘤剂 CC-1065 左侧片段的新吡唑类似物。
• Borsche; Scriba, Justus Liebigs Annalen der Chemie, 1939, vol. 541, p. 283,290
  作者：Borsche、Scriba

  DOI：——

  日期：——
• Some aryl semicarbazones possessing anticonvulsant activitie
  作者：JR Dimmock、KK Sidhu、SD Tumber、SK Basran、M Chen、JW Quail、J Yang、I Rozas、DF Weaver

  DOI：10.1016/0223-5234(96)88237-7

  日期：——

  A number of aryl semicarbazones displayed anticonvulsant activity in the maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ) screens when administered intraperitoneally to mice. When given by the oral route to rats, protection was afforded in the MES but not scPTZ tests. Correlations were noted between the sigma and sigma* values of the aryl substituents, the interplanar angles made by the aryl rings with the adjacent carbimino groups and the shapes of certain semicarbazones determined by X-ray crystallography, and the activities in the rat oral MES screen. Molecular modeling studies revealed a number of statistically significant descriptors which contributed to anticonvulsant activity.
• GALONS, H.;CAVE, C.;MIOCQUE, M.;RINJARD, P.;TRAN, G.;BINET, P., EUR. J. MED. CHEM., 25,(1990) N, C. 785-788
  作者：GALONS, H.、CAVE, C.、MIOCQUE, M.、RINJARD, P.、TRAN, G.、BINET, P.

  DOI：——

  日期：——