2-(Propan-2-yl)benzohydrazide | 69095-89-2

• 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: 2-(Propan-2-yl)benzohydrazide
• 英文别名: 2-propan-2-ylbenzohydrazide
• CAS: 69095-89-2
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: UVZSYTIJJFWFDG-UHFFFAOYSA-N

物化性质

• 熔点：
  88-89 °C(Solvent: Diisopropyl ether ; Ligroine)
• 密度：
  1.067±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(Propan-2-yl)benzohydrazide 反应 3.17h， 生成 3-(O-枯烯基)-5-(3-甲氧基苯基)-1H-1,2,4-三唑
  参考文献：
  名称：

  A new class of nonhormonal pregnancy-terminating agents. Synthesis and contragestational activity of 3,5-diaryl-s-triazoles

  摘要：

  A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents. The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency. Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained. One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species. A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.

  DOI：

  10.1021/jm00362a018
• 作为产物：
  描述：

  2-异丙基苯甲酰氯 在 一水合肼 作用下， 以 甲醇 为溶剂， 以85.5 mg的产率得到2-(Propan-2-yl)benzohydrazide
  参考文献：
  名称：

  控制脱线动力学可以评估存储在互锁分子机器失衡状态下的熵**

  摘要：

  研究了酸碱动力分子机器的最小模型，通过设计其组件来控制其脱线动力学。利用溶剂特性，我们可以监测分子机器从高能状态到平衡状态的松弛。通过测量此过程中交换的热量，我们可以通过实验确认此类系统具有显着的熵含量。

  DOI：

  10.1002/chem.202300295

文献信息

• OMODEI-SALE, A.;CONSONNI, P.;GALLIANI, G., J. MED. CHEM., 1983, 26, N 8, 1187-1192
  作者：OMODEI-SALE, A.、CONSONNI, P.、GALLIANI, G.

  DOI：——

  日期：——
• NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME
  申请人：INSTITUTE FOR BASIC SCIENCE

  公开号：US20220168717A1

  公开（公告）日：2022-06-02

  The present invention relates to a novel metal complex, a method for producing same, and a method for producing a gamma-lactam compound using same, and the metal complex according to the present invention is used as a catalyst for producing a gamma-lactam compound and can efficiently produce a gamma-lactam compound with an excellent yield and excellent selectivity.
• A new class of nonhormonal pregnancy-terminating agents. Synthesis and contragestational activity of 3,5-diaryl-s-triazoles
  作者：Amedeo Omodei-Sale、Pietro Consonni、Giulio Galliani

  DOI：10.1021/jm00362a018

  日期：1983.8

  A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents. The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency. Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained. One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species. A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.