5-氯-2-{(四氢-2H-吡喃-2-氧基)甲基}苯胺 | 290327-96-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-氯-2-{(四氢-2H-吡喃-2-氧基)甲基}苯胺
• 英文名称: 5-chloro-2-{(tetrahydro-2H-pyran-2-yloxy)methyl}aniline
• 英文别名: 5-chloro-2-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]benzenamine；5-chloro-2-(oxan-2-yloxymethyl)aniline
• CAS: 290327-96-7
• 化学式: C₁₂H₁₆ClNO₂
• 分子量: 241.718
• InChiKey: DGNFHCPKMDFVSC-UHFFFAOYSA-N

物化性质

• 沸点：
  381.4±42.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氯-2-{(四氢-2H-吡喃-2-氧基)甲基}苯胺 、 间甲苯磺酰氯 在 吡啶 作用下， 生成
  参考文献：
  名称：

  N-(5-Chloro-2-(hydroxymethyl)-N-alkyl-arylsulfonamides as γ-secretase inhibitors

  摘要：

  A series of N-alkylbenzeiiesulfonamides were developed from a high throughput screening hit. Classic and parallel synthesis strategies were employed to produce compounds with good in vitro and in vivo gamma-secretase activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.022
• 作为产物：
  描述：

  4-chloro-2-nitro-1-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]benzene 在 镍 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以98%的产率得到5-氯-2-{(四氢-2H-吡喃-2-氧基)甲基}苯胺
  参考文献：
  名称：

  Sulfonamide compounds and uses thereof

  摘要：

  根据本发明，提供了一类新型的磺胺类化合物。该发明的化合物含有一个核心磺胺基团。连接到磺胺基团的硫原子和氮原子的可变基团包括取代或未取代的烃基团、取代或未取代的杂环基团、多环基团、卤素、烷氧基、醚、酯、酰胺、磺酰、磺胺基、硫醚、碳酸酯等。该发明的化合物具有各种用途。例如，磺胺类化合物可以调节淀粉样蛋白β的产生，并可用于预防或治疗多种疾病。还提供了含有该发明化合物的药物组合物。这些组合物在预防或治疗多种疾病方面具有广泛的用途。

  公开号：

  US06967196B1

文献信息

• Sulfonamide compounds and uses thereof
  申请人：Smith David W.

  公开号：US06967196B1

  公开（公告）日：2005-11-22

  In accordance with the present invention, there is provided a novel class of sulfonamide compounds. Compounds of the invention contain a core sulfonamide group. Variable moieties connected to the sulfur atom and nitrogen atom of the sulfonamide group include substituted or unsubstituted hydrocarbyl moieties, substituted or unsubstituted heterocycle moieties, polycyclic moieties, halogen, alkoxy, ether, ester, amide, sulfonyl, sulfonamidyl, sulfide, carbamate, and the like. Invention compounds are capable of a wide variety of uses. For example sulfonamide compounds can act to modulate production of amyloid β protein and are useful in the prevention or treatment of a variety of diseases. Pharmaceutical compositions containing invention compounds are also provided. Such compositions have wide utility for the prevention or treatment of a variety of diseases.

  根据本发明，提供了一类新型的磺胺类化合物。该发明的化合物含有一个核心磺胺基团。连接到磺胺基团的硫原子和氮原子的可变基团包括取代或未取代的烃基团、取代或未取代的杂环基团、多环基团、卤素、烷氧基、醚、酯、酰胺、磺酰、磺胺基、硫醚、碳酸酯等。该发明的化合物具有各种用途。例如，磺胺类化合物可以调节淀粉样蛋白β的产生，并可用于预防或治疗多种疾病。还提供了含有该发明化合物的药物组合物。这些组合物在预防或治疗多种疾病方面具有广泛的用途。
• NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF
  申请人：MERCK & CO., INC.

  公开号：EP1159263A1

  公开（公告）日：2001-12-05
• US6967196B1
  申请人：——

  公开号：US6967196B1

  公开（公告）日：2005-11-22
• [EN] NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSES DE SULFONAMIDE ET UTILISATIONS CORRESPONDANTES
  申请人：MERCK & CO INC

  公开号：WO2000050391A1

  公开（公告）日：2000-08-31

  In accordance with the present invention, there is provided a novel class of sulfonamide compounds. Compounds of the invention contain a core sulfonamide group. Variable moieties connected to the sulfur atom and nitrogen atom of the sulfonamide group include substituted or unsubstituted hydrocarbyl moieties, substituted or unsubstituted heterocycle moieties, polycyclic moieties, halogen, alkoxy, ether, ester, amide, sulfonyl, sulfonamidyl, sulfide, carbamate, and the like. Invention compounds are capable of a wide variety of uses. For example sulfonamide compounds can act to modulate production of amyloid β protein and are useful in the prevention or treatment of a variety of diseases. Pharmaceutical compositions containing invention compounds are also provided. Such compositions have wide utility for the prevention or treatment of a variety of diseases.
• N-(5-Chloro-2-(hydroxymethyl)-N-alkyl-arylsulfonamides as γ-secretase inhibitors
  作者：Michael F. Parker、Donna M. Barten、Carl P. Bergstrom、Joanne J. Bronson、Jason A. Corsa、Milind S. Deshpande、Kevin M. Felsenstein、Valerie L. Guss、Steven B. Hansel、Graham Johnson、Daniel J. Keavy、Wai Y. Lau、Jeremy Mock、C.V.C. Prasad、Craig T. Polson、Charles P. Sloan、David W. Smith、Owen B. Wallace、Henry H. Wang、Andrew Williams、Ming Zheng

  DOI：10.1016/j.bmcl.2007.06.022

  日期：2007.8

  A series of N-alkylbenzeiiesulfonamides were developed from a high throughput screening hit. Classic and parallel synthesis strategies were employed to produce compounds with good in vitro and in vivo gamma-secretase activity. (c) 2007 Elsevier Ltd. All rights reserved.