| 167871-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• CAS: 167871-09-2
• 化学式: C₁₇H₁₃ClN₂O
• 分子量: 296.756
• InChiKey: ASZAOBHQTDDHJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  41.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以68%的产率得到3-(4-Chlorophenyl)-4-methyl-1,2,3,3a-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine
  参考文献：
  名称：

  Pesticidal activities of some 3-aryl-4-methylpyrazolo[3,4-b][1,5]benzodiazepines and 4-aryl-2-imino-5-methyl-1,3-thiazino[4,5-b][1,5]benzodiazepines

  摘要：

  A number of 3-aryl-4-methylpyrazolo[3,4-b][1,5]benzodiazepines and 4-aryl-2-imino-5-methyl-1,3-thiazino[4,5-b][1,5]benzodiazepines have been synthesized from 3-(arylmethylene)-4-methyl-1,5-benzodiazepin-2-one by cyclocondensation with hydrazine hydrate and thiourea in basic medium, respectively. All of the compounds were evaluated for their insecticidal and fungistatic activities, and the results are compared with the standard insecticide Propoxure and the standard fungicide Maneb. Some structure-activity relationships are discussed on the basis of screening data.

  DOI：

  10.1021/jf00058a032
• 作为产物：
  描述：

  邻苯二胺 在 sodium acetate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 7.0h， 生成
  参考文献：
  名称：

  Pesticidal activities of some 3-aryl-4-methylpyrazolo[3,4-b][1,5]benzodiazepines and 4-aryl-2-imino-5-methyl-1,3-thiazino[4,5-b][1,5]benzodiazepines

  摘要：

  A number of 3-aryl-4-methylpyrazolo[3,4-b][1,5]benzodiazepines and 4-aryl-2-imino-5-methyl-1,3-thiazino[4,5-b][1,5]benzodiazepines have been synthesized from 3-(arylmethylene)-4-methyl-1,5-benzodiazepin-2-one by cyclocondensation with hydrazine hydrate and thiourea in basic medium, respectively. All of the compounds were evaluated for their insecticidal and fungistatic activities, and the results are compared with the standard insecticide Propoxure and the standard fungicide Maneb. Some structure-activity relationships are discussed on the basis of screening data.

  DOI：

  10.1021/jf00058a032