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 | 59467-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 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
• 英文名称: 7-chloro-5-(2-fluorophenyl)-2-nitromethylene-1,3-dihydro-2H-1,4-benzodiazepine
• 英文别名: 7-Chlor-1,3-dihydro-5-(2-fluor-phenyl)-2-nitromethylen-2H-1,4-benzodiazepin；7-chloro-5-(2-fluoro-phenyl)-2-nitromethylene-2,3-dihydro-1H-benzo[e][1,4]diazepine；7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2-nitromethylene-2H-1,4-benzodiazepine*；7-Chloro-1,3-dihydro-5-(2-fluorophenyl)-2-nitromethylene-2H-1,4-benzodiazepine；7-chloro-5-(2-fluorophenyl)-2-(nitromethylidene)-1,3-dihydro-1,4-benzodiazepine
• CAS: 59467-63-9
• 化学式: C₁₆H₁₁ClFN₃O₂
• 分子量: 331.734
• InChiKey: URZUOAKBDKORRD-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿（少许）、可溶于二氯甲烷、DMSO、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  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 tetrahydroborate 、 对甲苯磺酸 、 sodium nitrite 作用下， 以 四氢呋喃 、 乙醇 、 溶剂黄146 为溶剂， 反应 9.25h， 生成 8-chloro-3-dimethylamino-6-(2-fluorophenyl)-4H-imidazo<1,5-a><1,4>-benzodiazepine
  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-5-(2-氟苯基)-2-(N-亚硝基甲基氨基)-3H-1,4-苯并二氮杂卓 在 硝基甲烷 、 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 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
  参考文献：
  名称：

  WO2024059669A2

  摘要：

  公开号：

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.

  提供了一种多步骤过程，用于制备公式##STR1##的咪唑苯二氮䓬。其中X从氢、卤素、硝基和三氟甲基组成的组中选择，Y从氢、卤素和三氟甲基组成的组中选择，R.sub.1从氢、较低烷基和芳基组成的组中选择。该过程中使用的新型中间体也被提出。最终产品可用作镇静剂、抗焦虑药、肌肉松弛剂和抗惊厥药。最终产品在静脉注射组合物中特别适用于术前麻醉使用。
• 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##中的咪唑苯二氮平，其中X选择自氢、卤素、硝基和三氟甲基的一组；Y选择自氢、卤素或三氟甲基的一组；R.sub.1为氢或较低的烷基，R.sub.2为二取代胺。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、抗焦虑药、肌肉松弛剂和抗癫痫药。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。
• Process to produce midazolam
  申请人：Pharmacia & Upjohn Company

  公开号：US05831089A1

  公开（公告）日：1998-11-03

  The present invention discloses new processes in the preparation of midazolam (VII), ##STR1## a commercially important pharmaceutical, as well a new intermediates in those processes from a known benzophenone (I) starting material.

  本发明披露了制备商业上重要的药物咪达唑仑（VII）的新工艺，以及从已知的苯并苯酮（I）起始物质中产生这些工艺的新中间体。