7,8-dimethoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine | 847173-30-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7,8-dimethoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine
• 英文别名: 7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
• CAS: 847173-30-2
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: WZVVSROLGHZUFU-UHFFFAOYSA-N

物化性质

• 沸点：
  338.2±42.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7,8-dimethoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine 在 盐酸羟胺 、 potassium carbonate 、 potassium hydroxide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 7.0h， 生成 4-((7,8-dimethoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methyl)-N-hydroxybenzamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of brain penetrant benzazepine-based histone deacetylase 6 inhibitors for alleviating stroke-induced brain infarction

  摘要：

  DOI：

  10.1016/j.ejmech.2021.113383
• 作为产物：
  描述：

  6,7-dimethoxy-1-tetralone oxime 在 二异丁基氢化铝 、 sodium fluoride 作用下， 以 正己烷 、 二氯甲烷 、 水 为溶剂， 反应 4.0h， 以38%的产率得到7,8-dimethoxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine
  参考文献：
  名称：

  Design, synthesis and biological evaluation of brain penetrant benzazepine-based histone deacetylase 6 inhibitors for alleviating stroke-induced brain infarction

  摘要：

  DOI：

  10.1016/j.ejmech.2021.113383

文献信息

• DIRECT C-H AMINATION AND AZA-ANNULATION
  申请人：The Board of Regents of the University of Texas System

  公开号：US20190152892A1

  公开（公告）日：2019-05-23

  In some aspects, the present disclosure provides methods of aminating an aromatic compound comprising reacting an aminating agent with an aromatic compound in the presence of a rhodium catalyst. In some embodiments, the methods may comprise aminating an aromatic compound which contains multiple different functional groups. The methods described herein may also be used to create bicyclic system comprising reacting an intramolecular aminating agent with an aromatic ring to obtain a second ring containing a nitrogen atom. In another aspect, the methods described herein may also be used to create a cyclic aliphatic cyclic/poly cyclic amine system comprising a reacting an intramolecular aminating agent by insertion into a C(sp3)-H bond.

  在某些方面，本公开提供了一种芳香化合物胺化的方法，包括在铑催化剂存在下，将胺化剂与芳香化合物反应。在某些实施例中，这些方法可能包括胺化含有多种不同功能基团的芳香化合物。本文描述的方法还可用于创建包含在芳香环中通过反应分子内胺化剂获得含氮原子的第二环的双环系统。在另一方面，本文描述的方法还可用于创建通过插入C(sp3)-H键反应分子内胺化剂的环脂环/多环胺系统。
• Dirhodium-catalyzed C-H arene amination using hydroxylamines
  作者：Mahesh P. Paudyal、Adeniyi Michael Adebesin、Scott R. Burt、Daniel H. Ess、Zhiwei Ma、László Kürti、John R. Falck

  DOI：10.1126/science.aaf8713

  日期：2016.9.9

  key functional groups in pharmaceuticals, agrochemicals, and functional materials, as well as in bioactive natural products. However, there is a dearth of generally applicable methods for the direct replacement of aryl hydrogens with NH2/NH(alkyl) moieties. Here, we present a mild dirhodium-catalyzed C-H amination for conversion of structurally diverse monocyclic and fused aromatics to the corresponding

  伯胺和 N-烷基芳胺基序是药物、农用化学品、功能材料以及生物活性天然产物中的关键官能团。然而，缺乏普遍适用的用NH2/NH(烷基)部分直接取代芳基氢的方法。在这里，我们提出了一种温和的二铑催化的 CH 胺化反应，使用 NH2/NH(烷基)-O-(磺酰基)羟胺作为胺化剂，将结构多样的单环和稠合芳族化合物转化为相应的伯胺和 N-烷基芳胺；相对较弱的RSO2O-N键起到内氧化剂的作用。该方法操作简单，可扩展，并且在环境温度或低于环境温度下快速，以中等至良好的产率提供芳胺，并具有良好的区域选择性。它可以很容易地扩展到稠合N-杂环的合成。
• Fused pyramidine derivative and use thereof
  申请人：Hamamura Kazumasa

  公开号：US20070010537A1

  公开（公告）日：2007-01-11

  There are provided a fused pyrimidine compound having antagonistic activity against luteinizing hormone releasing hormone, and a medicine containing the compound. A luteinizing hormone releasing hormone antagonist containing a compound represented by the formula: wherein R 1a is a hydrocarbon group which may be substituted or a hydrogen atom, ring A a is a 6-membered aromatic ring which may be further substituted, ring B a is a homocyclic or heterocyclic ring which may be further substituted, W a is an oxygen atom or a sulfur atom, X a1 and X a2 , which may be identical or different, are each a hydrogen atom, a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted, or X a1 and X a2 together may form an oxygen atom, a sulfur atom or NR 3a (wherein R 3a is a hydrocarbon group which may be substituted or a hydrogen atom), and Y a is C 1-6 alkylene which may be substituted or a bond, or a salt or prodrug thereof.

  提供了一种融合嘧啶化合物，具有抗促黄体激素释放激素的拮抗活性，以及含有该化合物的药物。一种促黄体激素释放激素拮抗剂，包含以下式子所代表的化合物：其中，R1a是一个可以被取代的碳氢基团或氢原子，环A是一个可以进一步取代的6元芳香环，环B是一个可以进一步取代的同环或异环，Wa是一个氧原子或硫原子，Xa1和Xa2，可能相同或不同，是每个可以被取代的碳氢基团或杂环基团，或Xa1和Xa2在一起可以形成氧原子、硫原子或NR3a（其中R3a是一个可以被取代的碳氢基团或氢原子），而Y是C1-6烷基，可以被取代或成为键，或其盐或前药。
• FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1657238A1

  公开（公告）日：2006-05-17

  There are provided a fused pyrimidine compound having antagonistic activity against luteinizing hormone releasing hormone, and a medicine containing the compound. A luteinizing hormone releasing hormone antagonist containing a compound represented by the formula: wherein R1a is a hydrocarbon group which may be substituted or a hydrogen atom, ring Aa is a 6-membered aromatic ring which may be further substituted, ring Ba is a homocyclic or heterocyclic ring which may be further substituted, Wa is an oxygen atom or a sulfur atom, Xa1 and Xa2, which may be identical or different, are each a hydrogen atom, a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted, or Xa1 and Xa2 together may form an oxygen atom, a sulfur atom or NR3a (wherein R3a is a hydrocarbon group which may be substituted or a hydrogen atom), and Ya is C1-6 alkylene which may be substituted or a bond, or a salt or prodrug thereof.

  提供了一种对黄体生成素释放激素具有拮抗活性的融合嘧啶化合物，以及一种含有该化合物的药物。一种黄体生成素释放激素拮抗剂含有由式表示的化合物： 其中 R1a 是可被取代的烃基或氢原子、 环 Aa 是可被进一步取代的 6 元芳香环、 环 Ba 是可被进一步取代的同环或杂环、 Wa 是氧原子或硫原子、 Xa1 和 Xa2（可以相同或不同）各自是氢原子、可被取代的烃基或可被取代的杂环基，或 Xa1 和 Xa2 可共同形成氧原子、硫原子或 NR3a（其中 R3a 是可被取代的烃基或氢原子），以及 Ya 是可被取代的 C1-6 亚烷基或键，或其盐或原药。
• Direct C—H amination and aza-annulation
  申请人：The Board of Regents of the University of Texas System

  公开号：US10995056B2

  公开（公告）日：2021-05-04

  In some aspects, the present disclosure provides methods of aminating an aromatic compound comprising reacting an aminating agent with an aromatic compound in the presence of a rhodium catalyst. In some embodiments, the methods may comprise aminating an aromatic compound which contains multiple different functional groups. The methods described herein may also be used to create bicyclic system comprising reacting an intramolecular aminating agent with an aromatic ring to obtain a second ring containing a nitrogen atom. In another aspect, the methods described herein may also be used to create a cyclic aliphatic cyclic/poly cyclic amine system comprising a reacting an intramolecular aminating agent by insertion into a C(sp3)-H bond.

  在某些方面，本公开提供了胺化芳香族化合物的方法，包括在铑催化剂存在下，胺化剂与芳香族化合物反应。在某些实施方案中，这些方法可包括胺化含有多个不同官能团的芳香族化合物。本文所述方法还可用于制造双环体系，包括使分子内胺化剂与芳香环反应，以获得含有氮原子的第二环。另一方面，本文所述方法还可用于制造环脂族环/多环胺体系，该体系包括通过插入 C(sp3)-H 键使分子内胺化剂发生反应。