2-Nitro-5-methoxy-benzylamin | 67567-42-4

• 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-Nitro-5-methoxy-benzylamin
• 英文别名: (5-Methoxy-2-nitrophenyl)methanamine
• CAS: 67567-42-4
• 化学式: C₈H₁₀N₂O₃
• 分子量: 182.179
• InChiKey: DZJKVKCPWQBJSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Nitro-5-methoxy-benzylamin 在 palladium on activated charcoal 氢气 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0~110.0 ℃ 、344.73 kPa 条件下， 反应 1.0h， 生成 6-methoxy-3,4-dihydro-2(1H)-quinazolinone
  参考文献：
  名称：

  Inhibitors of cyclic AMP phosphodiesterase. 1. Analogs of cilostamide and anagrelide

  摘要：

  Evaluation of a series of lactam heterocyclic analogues of cilostamide (2) as inhibitors of cyclic AMP phosphodiesterase derived from both human platelets and rat heart in comparison with their corresponding methoxy-substituted heterocycles has revealed that the N-cyclohexyl-N-methyl-4-oxybutyramide side chain of 2 is an important lipophilic and/or steric pharmacophore. Attachment of this side chain to the parent heterocycle of the potent cyclic AMP phosphodiesterase inhibitor anagrelide (3) afforded the hybrid structure RS-82856 (1), shown to be more potent than either of its progenitors as an inhibitor of cyclic AMP phosphodiesterase or of ADP-induced platelet aggregation. The available in vitro data suggest that 1 possesses potentially useful antithrombotic and cardiotonic properties.

  DOI：

  10.1021/jm00385a011
• 作为产物：
  描述：

  2-硝基-5-甲氧基苯腈 在 sodium tetrahydroborate 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成 2-Nitro-5-methoxy-benzylamin
  参考文献：
  名称：

  N-羟基吲唑和二芳基碘盐通过自由基 O-芳基化和 [3,3]-重排合成 3-(2-羟基芳基) 吲唑衍生物

  摘要：

  通过过渡金属自由基O-芳基化和顺序反应，以中等到良好的收率制备了各种功能化的 3-(2-羟基芳基) 吲唑和N -(四氢呋喃-2-基)-3-(2-羟基芳基) 吲唑[3,3] -N-羟基吲唑和二芳基碘盐的重排级联策略。二芳基碘盐的当量控制产物结构的形成。机理研究表明，通过 [3,3]-重排的O-芳基化和 N−O 键断裂涉及分子间自由基过程。该反应耐受各种敏感的官能团，例如卤化物、酯和醛基。

  DOI：

  10.1002/adsc.202200569

文献信息

• New betamimetics for the treatment of respiratory complaints
  申请人：Bouyssou Thierry

  公开号：US20060063817A1

  公开（公告）日：2006-03-23

  The present invention relates to compounds of formula 1 wherein the groups n, m, B, X and R 1 may have the meanings given in the claims and specification, processes for preparing them and their use as pharmaceutical compositions, particularly as pharmaceutical compositions for the treatment of respiratory complaints.

  本发明涉及公式1的化合物，其中n、m、B、X和R1的含义如权利要求和说明书中所给，以及它们的制备过程和作为药物组合物的用途，尤其是作为治疗呼吸系统疾病的药物组合物的用途。
• Medicament Combinations for the Treatment of Respiratory Diseases
  申请人：Konetzki Ingo

  公开号：US20070203125A1

  公开（公告）日：2007-08-30

  The present invention relates to new medicament combinations which contain in addition to one or more, preferably one compound of general formula 1 wherein A, B, R 1 , X, n and m may have the meanings given in the claims and in the specification, at least one other active substance 2, processes for preparing them and their use as pharmaceutical compositions.

  本发明涉及新的药物组合物，除了一个或多个，最好是1号通用公式中的一个化合物外，其中A、B、R1、X、n和m的含义如权利要求和说明书中所给，至少还包含另一种活性物质2，以及它们的制备方法和作为药物组合物的用途。
• Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof
  申请人：RIES Uwe

  公开号：US20070249595A1

  公开（公告）日：2007-10-25

  The present invention relates to enantiomerically pure compounds of formula 1 wherein the groups m, n, B, X, R 1 , m and Y m- may have the meanings given in the claims and specification, methods for preparing them and their use as pharmaceutical compositions, particularly as pharmaceutical compositions for the treatment of respiratory complaints.

  本发明涉及公式1的对映纯化合物，其中组m、n、B、X、R1、m和Ym可能具有权利要求和说明书中给定的含义，以及制备它们的方法以及它们作为药物组合物的用途，特别是作为用于治疗呼吸系统疾病的药物组合物。
• NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF
  申请人：RIES Uwe

  公开号：US20090306068A1

  公开（公告）日：2009-12-10

  The present invention relates to enantiomerically pure compounds of formula 1 wherein the groups m, n, B, X, R 1 , m and Y m− may have the meanings given in the claims and specification, methods for preparing them and their use as pharmaceutical compositions, particularly as pharmaceutical compositions for the treatment of respiratory complaints.

  本发明涉及式1的对映纯化合物，其中，基团m、n、B、X、R1、m和Ym-可能具有在权利要求和说明书中给出的含义，以及其制备方法和用作制药组合物的用途，特别是用作治疗呼吸道疾病的制药组合物。
• MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES
  申请人：KONETZKI Ingo

  公开号：US20100297028A1

  公开（公告）日：2010-11-25

  The present invention relates to new medicament combinations which contain in addition to one or more, preferably one compound of general formula 1 wherein A, B, R 1 , X, n and m may have the meanings given in the claims and in the specification, at least one other active substance 2, processes for preparing them and their use as pharmaceutical compositions.

  本发明涉及新的药物组合物，除了含有一个或多个通式1中A、B、R1、X、n和m可能具有声明和说明书中给出的含义的化合物之外，还包含至少一种其他活性物质2，以及制备它们的方法和它们作为制药组合物的用途。