4,6-dichloro-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one | 205756-65-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4,6-dichloro-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
• 英文别名: 4,6-Dichloro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one；4,6-dichloro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
• CAS: 205756-65-6
• 化学式: C₉H₄Cl₂F₃NO₂
• 分子量: 286.037
• InChiKey: HXWRVNCTBUUWTF-UHFFFAOYSA-N

物化性质

• 沸点：
  267.8±40.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲氧基乙醇钠 、 4,6-dichloro-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one 以 四氢呋喃 为溶剂， 生成 (+/-)-6-Chloro-4-(2-methoxyethoxy)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
  参考文献：
  名称：

  Synthesis and Evaluation of Efavirenz (SustivaTM) Analogues as HIV-1 Reverse Transcriptase Inhibitors: Replacement of the Cyclopropylacetylene Side Chain

  摘要：

  Two series of efavirenz analogues have been developed: one in which the cyclopropane ring has been replaced by small heterocycles and another in which the entire acetylenic side chain has been replaced by alkyloxy groups. Several members of both series show equivalent potency to efavirenz against both wild-type virus and the key K103N mutant. (C) 2001 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00192-5
• 作为产物：
  描述：

  光气 、 1-(2-氨基-5-氯苯基)-2,2,2-三氟乙酮 以 甲苯 为溶剂， 生成 4,6-dichloro-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
  参考文献：
  名称：

  Synthesis and Evaluation of Efavirenz (SustivaTM) Analogues as HIV-1 Reverse Transcriptase Inhibitors: Replacement of the Cyclopropylacetylene Side Chain

  摘要：

  Two series of efavirenz analogues have been developed: one in which the cyclopropane ring has been replaced by small heterocycles and another in which the entire acetylenic side chain has been replaced by alkyloxy groups. Several members of both series show equivalent potency to efavirenz against both wild-type virus and the key K103N mutant. (C) 2001 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00192-5

文献信息

• [EN] 4,4-DISUBSTITUTED-3,4-DIHYDRO-2(1H)-QUINAZOLINIONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS<br/>[FR] 4,4-BISUBSTITUEES-3,4-DIHYDRO-2(1H)-QUINAZOLINIONES UTILES EN TANT QU'INHIBITEURS DE LA TRANSCRIPTASE INVERSE DU VIH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004013110A1

  公开（公告）日：2004-02-12

  The present invention relates to quinazolinone compounds of formula (I): or stereoisomeric forms, stereoisomeric mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HIV reverse transcriptase, and to pharmaceutical compositions and diagnostic kits comprising the same, and methods of using the same for treating viral infection or as an assay standard or reagent.

  本发明涉及式(I)喹唑啉酮化合物：或其立体异构形式、立体异构混合物或药用可接受盐形式，这些化合物作为HIV逆转录酶的抑制剂是有用的，以及包含它们的药物组合物和诊断试剂盒，以及使用它们治疗病毒感染或作为分析标准或试剂的方法。
• 4,4-disubstitued-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV
  申请人：DuPont Pharmaceuticals Company

  公开号：US05874430A1

  公开（公告）日：1999-02-23

  The present invention relates to benzoxazinones of formula I: ##STR1## or stereoisomeric forms or mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HIV reverse transcriptase, and to pharmaceutical compositions and diagnostic kits comprising the same, methods of using the same for treating viral infection or as an assay standard or reagent, and intermediates and processes for making the same.

  本发明涉及式I的苯并噁唑酮：##STR1##或其立体异构体或混合物，或其药学上可接受的盐形式，其作为HIV逆转录酶抑制剂的用途，以及包含相同的药物组合物和诊断试剂盒，用于治疗病毒感染或作为测定标准或试剂的方法，以及制备相同的中间体和工艺。
• 4,4-disubstituted-1, 4-dihydro-2H-3, 1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same
  申请人：——

  公开号：US20020040138A1

  公开（公告）日：2002-04-04

  The present invention relates to benzoxazinones of formula I: 1 or stereoisomeric forms or mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HIV reverse transcriptase, and to pharmaceutical compositions and diagnostic kits comprising the same, methods of using the same for treating viral infection or as an assay standard or reagent, and intermediates and processes for making the same.

  本发明涉及公式I的苯并噁唑酮：1或其立体异构体或混合物，或其药学上可接受的盐形式，其用作HIV反转录酶的抑制剂，以及包含其的制药组合物和诊断试剂盒，使用其的治疗病毒感染的方法或用作检测标准或试剂，以及制造其的中间体和过程。
• 4,4-disubstituted-1,4-dihydro-2h-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same
  申请人：DuPont Pharmaceuticals Company

  公开号：US06303780B1

  公开（公告）日：2001-10-16

  The present invention relates to benzoxazinones of formula I: or stereoisomeric forms or mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HIV reverse transcriptase, and to pharmaceutical compositions and diagnostic kits comprising the same, methods of using the same for treating viral infection or as an assay standard or reagent, and intermediates and processes for making the same.

  本发明涉及公式I的苯并噁唑酮，或其立体异构体或混合物，或其药学上可接受的盐形式，其作为HIV反转录酶的抑制剂有用，以及包含它们的制药组合物和诊断试剂盒，使用它们的方法用于治疗病毒感染或作为测定标准或试剂，以及制备它们的中间体和方法。
• 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV
  申请人：DuPont Pharmaceutical Company

  公开号：US06140499A1

  公开（公告）日：2000-10-31

  The present invention relates to benzoxazinones of formula I: ##STR1## or stereoisomeric forms or mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HIV reverse transcriptase, and to pharmaceutical compositions and diagnostic kits comprising the same, methods of using the same for treating viral infection or as an assay standard or reagent, and intermediates and processes for making the same.

  本发明涉及式I的苯并噁唑酮：##STR1## 或其立体异构体或混合物，或其药学上可接受的盐形式，其作为HIV反转录酶的抑制剂有用，以及包含它们的制药组合物和诊断试剂盒，使用它们治疗病毒感染的方法或作为测定标准或试剂，以及制备它们的中间体和方法。