7-chloro-5-(2-fluorophenyl)-N-hydroxy-alpha-nitro-3H-1,4-benzodiazepine-2-methanimine | 76488-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 7-chloro-5-(2-fluorophenyl)-N-hydroxy-alpha-nitro-3H-1,4-benzodiazepine-2-methanimine
• 英文别名: 7-Chloro-5-(2-fluorophenyl)-N-hydroxy-alpha-nitro-3H-1,4-benzodiazepin-2-methanimine；N-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]-nitromethylidene]hydroxylamine
• CAS: 76488-35-2
• 化学式: C₁₆H₁₀ClFN₄O₃
• 分子量: 360.732
• InChiKey: KVSLRHKAMLXXSL-UHFFFAOYSA-N

物化性质

• 熔点：
  220-230 °C (decomp)
• 沸点：
  569.6±60.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-chloro-5-(2-fluorophenyl)-N-hydroxy-alpha-nitro-3H-1,4-benzodiazepine-2-methanimine 在 sodium tetrahydroborate 、 氨 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-N'-hydroxycarboximidamide
  参考文献：
  名称：

  喹唑啉和1,4-苯并二氮杂pine。XCIII。†由硝基肟合成咪唑并[1,5- a ] [1,4]苯并二氮杂

  摘要：

  其他亲核试剂取代硝基肟中的硝基被用来制备各种2-（羟基亚氨基）甲基-和2-（甲氧基亚氨基）甲基-1,4-苯并二氮杂s。这些化合物被转化为在3-位带有叔胺，甲氧基或硫代甲基的咪唑并[1,5- a ] [1,4]苯并二氮杂。

  DOI：

  10.1002/jhet.5570200313
• 作为产物：
  描述：

  7-氯-1,3-二氢-5-(2-氟苯基)-2-硝基亚甲基-2H-1,4-苯并二氮杂卓 在 sodium nitrite 作用下， 以 溶剂黄146 为溶剂， 反应 0.25h， 以78%的产率得到7-chloro-5-(2-fluorophenyl)-N-hydroxy-alpha-nitro-3H-1,4-benzodiazepine-2-methanimine
  参考文献：
  名称：

  喹唑啉和1,4-苯并二氮杂pine。XCIII。†由硝基肟合成咪唑并[1,5- a ] [1,4]苯并二氮杂

  摘要：

  其他亲核试剂取代硝基肟中的硝基被用来制备各种2-（羟基亚氨基）甲基-和2-（甲氧基亚氨基）甲基-1,4-苯并二氮杂s。这些化合物被转化为在3-位带有叔胺，甲氧基或硫代甲基的咪唑并[1,5- a ] [1,4]苯并二氮杂。

  DOI：

  10.1002/jhet.5570200313

文献信息

• 1,2,5-Oxadiazino[5,4-a][1,4]benzodiazepine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US04226771A1

  公开（公告）日：1980-10-07

  A multistep process is presented for the preparation of imidazobenzodiazepines of the formula ##STR1## wherein X is selected from the group consisting of hydrogen, halogen, nitro and trifluoromethyl, Y is selected from the group consisting of hydrogen, halogen and trifluoromethyl and R.sub.1 is selected from the group consisting of hydrogen, lower alkyl and aryl Also presented are novel intermediates utilized in the process. The end products are useful as sedatives, anxiolytics, muscle relaxants and anticonvulsants. The end products are especially useful in intravenous compositions for use in preoperative anesthesia.

  提出了一种制备式为##STR1##的咪唑苯并二氮平的多步骤过程，其中X从氢，卤素，硝基和三氟甲基的组中选择，Y从氢，卤素和三氟甲基的组中选择，R.sub.1从氢，低烷基和芳基的组中选择。还提出了在该过程中使用的新型中间体。最终产品可用作镇静剂，抗焦虑剂，肌肉松弛剂和抗惊厥药物。最终产品在术前麻醉的静脉注射组合物中特别有用。
• Process for the preparation of imidazobenzodiazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04226768A1

  公开（公告）日：1980-10-07

  A multistep process is presented for the preparation of imidazobenzodiazepines of the formula ##STR1## wherein X is selected from the group consisting of hydrogen, halogen, nitro and trifluoromethyl; Y is selected from the group consisting of hydrogen, halogen or trifluoromethyl; R.sub.1 is hydrogen or lower alkyl and R.sub.2 is a disubstituted amine. Also presented are novel intermediates utilized in the process. The end products and intermediates are useful as sedatives, anxiolytics, muscle relaxants and anticonvulsants. The end products are especially useful in intravenous compositions for use in preoperative anesthesia.

  提供了一种多步骤的过程，用于制备公式## STR1##中的咪唑苯并二氮平，其中X选自氢、卤素、硝基和三氟甲基的组；Y选自氢、卤素或三氟甲基的组；R.sub.1为氢或较低的烷基，R.sub.2为双取代胺。还提供了在该过程中使用的新型中间体。最终产品和中间体可用作镇静剂、抗焦虑剂、肌肉松弛剂和抗癫痫药物。最终产品在术前麻醉的静脉组成中特别有用。
• Benzodiazepine intermediates for the preparation of
  申请人：Hoffmann-La Roche Inc.

  公开号：US04257946A1

  公开（公告）日：1981-03-24

  A multistep process is presented for the preparation of imidazobenzodiazepines of the formula ##STR1## wherein X is selected from the group consisting of hydrogen, halogen, nitro and trifluoromethyl; Y is selected from the group consisting of hydrogen, halogen or trifluoromethyl; R.sub.1 is hydrogen or lower alkyl and R.sub.2 is disubstituted amine. Also presented are novel intermediates utilized in the process. The end products and intermediates are useful as sedatives, anxiolytics, muscle relaxants and anticonvulsants. The end products are especially useful in intravenous compositions for use in preoperative anesthesia.

  本发明提供了一种制备式为##STR1##的咪唑苯二氮平的多步骤过程，其中X选自氢、卤素、硝基和三氟甲基的组；Y选自氢、卤素或三氟甲基的组；R.sub.1为氢或低碳基，R.sub.2为二取代胺。还提供了在过程中使用的新型中间体。所得的最终产品和中间体可用作镇静剂、抗焦虑剂、肌肉松弛剂和抗癫痫药。最终产品在术前麻醉的静脉注射组成物中尤其有用。
• Imidazobenzodiazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04250095A1

  公开（公告）日：1981-02-10

  A multistep process is presented for the preparation of imidazobenzodiazepines of the formula ##STR1## wherein X is selected from the group consisting of hydrogen, halogen, nitro and trifluoromethyl, Y is selected from the group consisting of hydrogen, halogen and trifluoromethyl and R.sub.1 is selected from the group consisting of hydrogen, lower alkyl and aryl. Also presented are novel intermediates utilized in the process. The end products are useful as sedatives, anxiolytics, muscle relaxants and anticonvulsants. The end products are especially useful in intravenous compositions for use in preoperative anesthesia.

  提供了一种制备式为##STR1##的咪唑苯并二氮平的多步骤过程，其中X选自氢、卤素、硝基和三氟甲基的群组，Y选自氢、卤素和三氟甲基的群组，R.sub.1选自氢、低烷基和芳基的群组。还提供了在该过程中使用的新型中间体。最终产品可用作镇静剂、抗焦虑剂、肌肉松弛剂和抗癫痫药物。最终产品在术前麻醉的静脉注射组合物中特别有用。