1-(4-Chlorobenzoyl)-4-ethylsemicarbazide | 116114-18-2

• 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: 1-(4-Chlorobenzoyl)-4-ethylsemicarbazide
• 英文别名: 1-(4-chlorobenzoyl)-4-ethyl semicarbazide；1-(4chlorobenzoyl)-4-ethyl semicarbazide；1-[(4-chlorobenzoyl)amino]-3-ethylurea
• CAS: 116114-18-2
• 化学式: C₁₀H₁₂ClN₃O₂
• mdl: MFCD09293895
• 分子量: 241.677
• InChiKey: UZEZDSQZNDVULK-UHFFFAOYSA-N

物化性质

• 熔点：
  237-239 °C(Solv: ethanol (64-17-5))
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-Chlorobenzoyl)-4-ethylsemicarbazide 在 sodium hydroxide 作用下， 反应 23.0h， 以83%的产率得到5-(4-氯-苯基)-4-乙基-2,4-二氢-[1,2,4]三唑-3-酮
  参考文献：
  名称：

  The Bis(tricyclohexylstannyl) Sulfide Thionation of 3H-1,2,4- Triazol-3-ones

  摘要：

  使用双(三环己基锡)硫醚/三氯化硼组合，5-芳基-2,4-二烷基-2,4-二氢-3H-1,2,4-三唑-3-酮可以以55-74%的产率转化为相应的3H-1,2,4-三唑-3-硫酮。

  DOI：

  10.1055/s-1987-28119
• 作为产物：
  描述：

  4-氯苯甲酰肼 以89的产率得到1-(4-Chlorobenzoyl)-4-ethylsemicarbazide
  参考文献：
  名称：

  J. Med. Chem. 1990, 33, 2772-2777

  摘要：

  DOI：

文献信息

• Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors
  申请人：Meier Heinrich

  公开号：US20090312381A1

  公开（公告）日：2009-12-17

  The present application relates to novel, substituted 4-arylimidazol-2-ones and 5-aryl-1,2,4-triazolones, processes for the production thereof, the use thereof alone or in combinations for the treatment and/or prevention of diseases and the use thereof for the production of medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of cardiovascular diseases.

  本申请涉及新颖的取代的4-芳基咪唑-2-酮和5-芳基-1,2,4-三唑酮，其生产方法，单独或组合使用以治疗和/或预防疾病，以及用于生产治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• Process for the preparation of 5-aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones
  申请人：MERRELL DOW PHARMACEUTICALS INC.

  公开号：EP0280867A1

  公开（公告）日：1988-09-07

  This invention relates to a novel process for the preparation of 5-aryl-2,4-dialkyl-3H-1,2,4-triazole-3-­thiones, useful as antidepressants, through the thionation of the corresponding 5-aryl-2,4-dialkyl-3H-1,2,4-triazol-­3-ones.

  这项发明涉及一种新型制备5-芳基-2,4-二烷基-3H-1,2,4-三唑-3-硫酮的过程，该化合物可用作抗抑郁药，通过将相应的5-芳基-2,4-二烷基-3H-1,2,4-三唑-3-酮进行硫化来实现。
• 5-phenyl-3H-1,2,4-triazol-3-ones and their use as anticonvulsants
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04946856A1

  公开（公告）日：1990-08-07

  This invention relates to 5-phenyl-3H-1,2,4-triazol-3-ones and to their use as anticonvulsants for treatment of seizure disorders.

  这项发明涉及5-苯基-3H-1,2,4-三唑-3-酮及其作为抗癫痫药物治疗癫痫症的用途。
• Halopropargyl compounds, compositions, uses and processes of preparation
  申请人：Rohm and Haas Company

  公开号：US05292762A1

  公开（公告）日：1994-03-08

  Compounds of the formula ##STR1## wherein A is selected from the group consisting of hydrogen, alkyl, aryl, and heterocyclic; Y and Z are independently selected from the group consisting of O, S, and N--R; R is selected from the group consisting of hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted phenyl, and substituted or unsubstituted heterocyclic; and X is selected from the group consisting of I and Br. are disclosed to useful as antimicrobials.

  公式为##STR1##的化合物，其中A从氢、烷基、芳基和杂环中选择；Y和Z独立地从O、S和N--R中选择；R从氢、取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基、取代或未取代的苯基和取代或未取代的杂环中选择；X从I和Br中选择。被披露为有用的抗菌剂。
• Fungicidal compositions and methods of use
  申请人：Rohm and Haas Company

  公开号：US05064845A1

  公开（公告）日：1991-11-12

  This invention relates to the use of iodopropargyl compounds invention have the structure ##STR1## wherein A is hydrogen, alkyl, cycloalkyl, alkenyl, alkynyl, phenyl, phenylalkyl, naphthyl or heterocyclyl; and Z is oxygen (O) or N--R; wherein R is hydrogen, alkyl, cycloalkyl, phenyl, or phenylalkyl as agricultural fungicides and to agricultural fungicidal compositions containing the iodopropargyl compounds.

  本发明涉及利用碘丙炔基化合物，其结构为##STR1##其中A为氢、烷基、环烷基、烯基、炔基、苯基、苯基烷基、萘基或杂环基；Z为氧（O）或N-R；其中R为氢、烷基、环烷基、苯基或苯基烷基，作为农业杀菌剂的用途，并且涉及含有碘丙炔基化合物的农业杀菌剂组合物。